SCHEMBL7751708

SCHEMBL7751708

CCCCCCCC/C=C\CCCCCCCCC(C)[N+](C)(C)C(C)(CC(=O)O)C(=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
TERT O14746 3/20 0.42
PTPN1 P18031 3/20 0.42
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
TOP1 P11387 3/20 0.42
BLM P54132 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPT P10636 2/20 0.42
FABP4 P15090 2/20 0.42
GMNN O75496 2/20 0.42
USP2 O75604 2/20 0.42
CYP1A2 P05177 2/20 0.42
POLB P06746 2/20 0.42
CYP2C9 P11712 2/20 0.42
APEX1 P27695 2/20 0.42
CYP2C19 P33261 2/20 0.42
RECQL P46063 2/20 0.42

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
SCHEMBL98813 0.92 CA2 (0.41) FFAR1FFAR4BLM
SCHEMBL7752126 0.92 CA2 (0.41) FFAR1FFAR4BLM
SCHEMBL97487 0.92 CA2 (0.41) FFAR1FFAR4BLM
SCHEMBL7747690 0.92 CA2 (0.41) FFAR1FFAR4BLM
SCHEMBL98769 0.87 PPARG (0.49) FFAR1FFAR4TERTPTPN1PPARG
SCHEMBL7752153 0.83 KDM4C (0.34) FFAR1BLMTDP1
SCHEMBL3374615 0.82 CA2 (0.45) HSD17B10CYP1A2FAAHKMT2A
SCHEMBL3338797 0.81 TSHR (0.33) CYP2C19NPSR1CHRM1TBXA2RTDP1
SCHEMBL1007055 0.80 FFAR4 (0.42) FFAR1FFAR4PTPN1PPARGPPARD
SCHEMBL7885777 0.78 FFAR4 (0.47) FFAR1FFAR4PTPN1PPARGPPARD

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
WO-2001039735-A1 CONDITIONING SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-06-07 WO disclosed
WO-2000064411-A1 CONDITIONING SHAMPOO COMPOSITIONS VENKATESWARAN, ANANTHANARYAN 2000-11-02 WO disclosed
WO-2000064410-A1 CONDITIONING SHAMPOO COMPOSITIONS OHTSU, KUMIKO 2000-11-02 WO disclosed
WO-2000040213-A1 HAIR CONDITIONING LAYERED GEL COMPOSITION CONTAINING A HIGH MELTING POINT COMPOUND THE PROCTER & GAMBLE COMPANY (US) 2000-07-13 WO disclosed
WO-1999062492-A1 HAIR CONDITIONING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-12-09 WO disclosed
WO-1999024013-A1 CONDITIONING SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-05-20 WO disclosed