Acetic Acid

Acetic Acid

SCHEMBL2943155

CC(=O)O.Cn1ccnc1CCCO

nearest known ligand 0.47

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR1 known ✓ P30556 1/20 0.36
OPRK1 known ✓ P41145 1/20 0.35
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
FDPS P14324 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CNR2 P34972 1/20 0.38
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AGTR2 P50052 1/20 0.36
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
NAMPT P43490 1/20 0.35
DRD4 P21917 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
LPO P22079 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5032007 0.91 FDPS (0.45) FNTAFNTBFDPSKMT2AMEN1
Acetic Acid SCHEMBL29005954 0.90 FDPS (0.45) FNTAFNTBFDPSKMT2AMEN1
Bromide SCHEMBL18941396 0.90 FDPS (0.44) FNTAFNTBFDPSKMT2AMEN1
Acetic Acid SCHEMBL27878450 0.87 FNTA (0.47) FNTAFNTBFDPSKMT2AMEN1
Acetic Acid SCHEMBL2062149 0.87 FNTA (0.47) FNTAFNTBFDPSKMT2AMEN1
SCHEMBL12471754 0.86 FDPS (0.44) FNTAFNTBFDPSKMT2AMEN1
SCHEMBL16699808 0.85 FDPS (0.42) FNTAFNTBFDPSKMT2AMEN1
SCHEMBL16700474 0.84 FDPS (0.42) FNTAFNTBFDPSKMT2AMEN1
SCHEMBL30071648 0.84 FDPS (0.42) FNTAFNTBFDPSKMT2AMEN1
Acetic Acid SCHEMBL28317766 0.84 FNTA (0.46) FNTAFNTBFDPSKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2110468-B1 Cellulose carbamate spinning solution, cellulose carbamate fibre, method for creating same and applications FRAUNHOFER GES FORSCHUNG (DE) 2015-04-08 EP claimed
EP-2116638-B1 Method for creating a cellulose carbamate blown film FRAUNHOFER GES FORSCHUNG (DE) 2015-04-08 EP claimed
US-8454884-B2 Method of producing cellulose carbamate blown film and use of the same FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2013-06-04 US claimed
US-8263507-B2 Cellulose carbamate spinning solution, method for producing a cellulose carbamate nonwoven, and use of the same FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG, E.V. (DE) 2012-09-11 US claimed
EP-2110467-B1 Cellulose carbamate spinning solution, and method for producing a cellulose carbamate non-woven fabric FRAUNHOFER GES FORSCHUNG (DE) 2010-09-22 EP claimed
US-20090259032-A1 METHOD OF PRODUCING CELLULOSE CARBAMATE BLOWN FILM AND USE OF THE SAME FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2009-10-15 US claimed
US-20090258227-A1 METHOD OF PRODUCING CELLULOSE CARBAMATE FIBRE AND USE OF THE SAME FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2009-10-15 US claimed
US-20090258561-A1 CELLULOSE CARBAMATE SPINNING SOLUTION, METHOD FOR PRODUCING A CELLULOSE CARBAMATE NONWOVEN, AND USE OF THE SAME FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2009-10-15 US claimed
US-8454884-B2 Method of producing cellulose carbamate blown film and use of the same FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2013-06-04 US disclosed
US-8263507-B2 Cellulose carbamate spinning solution, method for producing a cellulose carbamate nonwoven, and use of the same FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG, E.V. (DE) 2012-09-11 US disclosed
US-20090259032-A1 METHOD OF PRODUCING CELLULOSE CARBAMATE BLOWN FILM AND USE OF THE SAME FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2009-10-15 US disclosed
US-20090258227-A1 METHOD OF PRODUCING CELLULOSE CARBAMATE FIBRE AND USE OF THE SAME FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2009-10-15 US disclosed
US-20090258561-A1 CELLULOSE CARBAMATE SPINNING SOLUTION, METHOD FOR PRODUCING A CELLULOSE CARBAMATE NONWOVEN, AND USE OF THE SAME FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2009-10-15 US disclosed