Acetic Acid

Acetic Acid

SCHEMBL5801684

CC(=O)[O-].CCCCCCCCCCCC[N+]1(C)CCOCC1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

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 17)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.54
LMNA P02545 3/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
APOBEC3A P31941 3/20 0.40
APOBEC3G Q9HC16 3/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
PABPC1 P11940 1/20 0.36

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
SCHEMBL92698 0.88 CDC25A (0.55) CDC25AHPGDALOX15GNAI3GNAO1
SCHEMBL17418564 0.88 CDC25A (0.55) CDC25AHPGDALOX15GNAI3GNAO1
SCHEMBL28355508 0.88 CDC25A (0.55) CDC25AHPGDALOX15GNAI3GNAO1
SCHEMBL17419072 0.88 CDC25A (0.55) CDC25AHPGDALOX15GNAI3GNAO1
SCHEMBL4752338 0.88 CDC25A (0.55) CDC25AHPGDALOX15GNAI3GNAO1
SCHEMBL5878763 0.88 CDC25A (0.55) CDC25AHPGDALOX15GNAI3GNAO1
SCHEMBL4065812 0.88 CDC25A (0.55) CDC25AHPGDALOX15GNAI3GNAO1
SCHEMBL13042277 0.88 CDC25A (0.55) CDC25AHPGDALOX15GNAI3GNAO1
SCHEMBL4428238 0.88 CDC25A (0.55) CDC25AHPGDALOX15GNAI3GNAO1
Hydrochloric Acid SCHEMBL8006885 0.86 CDC25A (0.54) CDC25AHPGDALOX15GNAI3GNAO1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337613-A4 A CONTROLLED DELIVERY SYSTEM FOR FABRIC CARE PRODUCTS SALVONA LLC (US) 2004-05-12 EP claimed
US-20030166490-A1 Controlled delivery system for fabric care products SALVONA LLC 2003-09-04 US claimed
EP-1337613-A1 A CONTROLLED DELIVERY SYSTEM FOR FABRIC CARE PRODUCTS Salvona L.L.C. (US) 2003-08-27 EP claimed
US-6531444-B1 Fragrant burst upon ironing; hydrophobic candelilla wax/silicon copolymer; cationic charge boosters and fabric softeners SALVONA, LLC 2003-03-11 US claimed
WO-2002038713-A1 A CONTROLLED DELIVERY SYSTEM FOR FABRIC CARE PRODUCTS SALVONA, L.L.C. (US) 2002-05-16 WO claimed
US-7119060-B2 Controlled delivery system for fabric care products SALVONA IP, LLC (US) 2006-10-10 US disclosed
WO-2006078563-A2 A CONTROLLED DELIVERY SYSTEM FOR HOUSEHOLD PRODUCTS NATIONAL STARCH AND CHEMICAL COMPANY (US) 2006-07-27 WO disclosed
US-20050176599-A1 Controlled delivery system for household products BERGQUIST CATHARINE J (US) 2005-08-11 US disclosed
EP-1337613-A4 A CONTROLLED DELIVERY SYSTEM FOR FABRIC CARE PRODUCTS SALVONA LLC (US) 2004-05-12 EP disclosed
US-20030166490-A1 Controlled delivery system for fabric care products SALVONA LLC 2003-09-04 US disclosed
EP-1337613-A1 A CONTROLLED DELIVERY SYSTEM FOR FABRIC CARE PRODUCTS Salvona L.L.C. (US) 2003-08-27 EP disclosed
US-6531444-B1 Fragrant burst upon ironing; hydrophobic candelilla wax/silicon copolymer; cationic charge boosters and fabric softeners SALVONA, LLC 2003-03-11 US disclosed
WO-2002038713-A1 A CONTROLLED DELIVERY SYSTEM FOR FABRIC CARE PRODUCTS SALVONA, L.L.C. (US) 2002-05-16 WO disclosed
US-4096072-A CASTOR OIL, QUATERNARY AMMONIUM SALTS, DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1978-06-20 US disclosed