SCHEMBL4811075

SCHEMBL4811075

C=CCCCCCCCCCN[C@H](C(=O)[O-])C(C)C.[Na+]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 3/20 0.37
ABCC4 O15439 1/20 0.37
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
EPHX2 P34913 1/20 0.31
LPAR2 Q9HBW0 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30

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
SCHEMBL8364198 1.00 ALDH1A1 (0.40) ALDH1A1LMNAMAPTABCC4USP2
SCHEMBL6429282 0.84 MAPT (0.43) ALDH1A1LMNAMAPTABCC4USP2
SCHEMBL4251857 0.84 MAPT (0.43) ALDH1A1LMNAMAPTABCC4USP2
SCHEMBL6435481 0.83 MAPT (0.42) ALDH1A1LMNAMAPTABCC4USP2
Hydrochloric Acid SCHEMBL2425645 0.83 MAPT (0.42) ALDH1A1LMNAMAPTABCC4USP2
SCHEMBL2426658 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMAPTABCC4USP2
SCHEMBL18691432 0.80 CA1 (0.47) SMN1; SMN2
SCHEMBL629450 0.75 ALDH1A1 (0.42) ALDH1A1LMNAMAPTABCC4USP2
SCHEMBL19741167 0.73 MAPT (0.46) ALDH1A1LMNAMAPTABCC4USP2
SCHEMBL24672926 0.72 TSHR (0.46) ALDH1A1LMNAMAPTABCC4USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314550-B2 Analytical separations with polyelectrolyte layers, molecular micelles, or zwitterionic polymers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2008-01-01 US claimed
US-20040084312-A1 Analytical separations with polyelectrolyte layers, molecular micelles, or zwitterionic polymers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-05-06 US claimed
US-5770084-A SEPARATING THE MIXTURE OF TWO ENANTIOMERS BY USING CHIRAL SELECTOR AND POLYMERIZED CHIRAL MICELLES HAVING DIFFERENT AFFINITIES FOR ENANTIOMERS WHICH CAUSES THE ENANTIOMERS TO MOVE THROUGH MEDIUM AT DIFFERENT VELOCITIES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1998-06-23 US claimed
US-7314550-B2 Analytical separations with polyelectrolyte layers, molecular micelles, or zwitterionic polymers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2008-01-01 US disclosed
US-20040084312-A1 Analytical separations with polyelectrolyte layers, molecular micelles, or zwitterionic polymers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-05-06 US disclosed
US-5770084-A SEPARATING THE MIXTURE OF TWO ENANTIOMERS BY USING CHIRAL SELECTOR AND POLYMERIZED CHIRAL MICELLES HAVING DIFFERENT AFFINITIES FOR ENANTIOMERS WHICH CAUSES THE ENANTIOMERS TO MOVE THROUGH MEDIUM AT DIFFERENT VELOCITIES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1998-06-23 US disclosed