SCHEMBL6406722

SCHEMBL6406722

C=CCC(CCCCCCCCCCCCCCCCc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.52
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CPB2 Q96IY4 2/20 0.49
TBXAS1 P24557 1/20 0.48
TRPA1 O75762 1/20 0.48
ALOX5 P09917 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
FAAH O00519 3/20 0.45
CES1 P23141 3/20 0.45
FOLH1 Q04609 1/20 0.45
CYP2C19 P33261 1/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL7003943 0.88 MAPT (0.49) GRIK1MAPTRXFP1TRPA1ALOX5
SCHEMBL9748537 0.87 CYP2C19 (0.50) GRIK1TBXAS1CYP2C19
SCHEMBL10521559 0.81 FOLH1 (0.68) GRIK1MAPTRXFP1CPB2TRPA1
SCHEMBL8669212 0.81 GRIK1 (0.58) GRIK1MAPTRXFP1CPB2TRPA1
SCHEMBL1862995 0.80 GRIK1 (0.61) GRIK1MAPTRXFP1CPB2TRPA1
SCHEMBL9685330 0.80 TRPA1 (0.55) MAPTRXFP1TRPA1ALOX5HDAC1
SCHEMBL11050992 0.80 GRIK1 (0.56) GRIK1MAPTRXFP1CPB2TRPA1
SCHEMBL29650381 0.80 GRIK1 (0.56) GRIK1MAPTRXFP1CPB2TRPA1
SCHEMBL5966641 0.79 FOLH1 (0.70) GRIK1CPB2ALOX5FOLH1
SCHEMBL27423810 0.79 FOLH1 (0.70) GRIK1CPB2ALOX5FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050202998-A1 Concentrated, stable, translucent or clear, fabric softening compositions including chelants THE PROCTER & GAMBLE COMPANY 2005-09-15 US disclosed
US-6943144-B1 Concentrated stable, translucent or clear fabric softening compositions including chelants THE PROCTER & GAMBLE COMPANY (US) 2005-09-13 US disclosed
EP-0888424-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 EP disclosed
EP-0839180-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP disclosed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed
WO-1997034972-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO disclosed
WO-1997003172-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed