SCHEMBL9504870

SCHEMBL9504870

CCCCCCCCC=Cc1ccccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.55
CYSLTR1 Q9Y271 2/20 0.55
SOAT2 O75908 1/20 0.49
SOAT1 P35610 1/20 0.49
FAAH O00519 3/20 0.47
EPHX2 P34913 2/20 0.47
F7 P08709 3/20 0.46
F3 P13726 3/20 0.46
MMP2 P08253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
ECE1 P42892 1/20 0.46
SGMS1 Q86VZ5 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
MUS81 Q96NY9 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
CES1 P23141 1/20 0.45
CNR1 P21554 1/20 0.45

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
SCHEMBL14672873 1.00 CYSLTR2 (0.55) CYSLTR2CYSLTR1SOAT2SOAT1FAAH
SCHEMBL22439053 1.00 CYSLTR2 (0.55) CYSLTR2CYSLTR1SOAT2SOAT1FAAH
SCHEMBL9504864 1.00 CYSLTR2 (0.55) CYSLTR2CYSLTR1SOAT2SOAT1FAAH
SCHEMBL22439056 1.00 CYSLTR2 (0.55) CYSLTR2CYSLTR1SOAT2SOAT1FAAH
SCHEMBL10496494 0.98 CYSLTR2 (0.53) CYSLTR2CYSLTR1SOAT2SOAT1FAAH
SCHEMBL10496500 0.98 CYSLTR2 (0.53) CYSLTR2CYSLTR1SOAT2SOAT1FAAH
SCHEMBL11213197 0.94 PDE5A (0.49) CYSLTR2CYSLTR1SOAT2SOAT1KDM4E
SCHEMBL11213193 0.94 PDE5A (0.49) CYSLTR2CYSLTR1SOAT2SOAT1KDM4E
SCHEMBL28684404 0.88 CYSLTR2 (0.52) CYSLTR2CYSLTR1SOAT2SOAT1FAAH
SCHEMBL4089995 0.87 PTPN1 (0.43) CYSLTR2CYSLTR1KDM4EALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed