SCHEMBL7629583

SCHEMBL7629583

CCCCCCCCCCCCSCCOc1ccc(CCC(=O)C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.55
PLA2G4B P0C869 2/20 0.54
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CES1 P23141 4/20 0.47
CES2 O00748 2/20 0.47
PLA2G6 O60733 1/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3487635 0.89 FAAH (0.65) FAAHS1PR4S1PR1S1PR3HDAC1
SCHEMBL3488458 0.89 FAAH (0.65) FAAHS1PR4S1PR1S1PR3HDAC1
SCHEMBL7627067 0.85 PLA2G4B (0.70) PLA2G4BS1PR4S1PR1S1PR3LMNA
SCHEMBL7626953 0.84 HDAC1 (0.45) HDAC1HDAC2LMNAL3MBTL1
SCHEMBL7626988 0.83 PLA2G4B (0.56) PLA2G4BS1PR4S1PR1S1PR3LMNA
SCHEMBL7635190 0.83 LMNA (0.43) HDAC1HDAC2LMNAL3MBTL1ALDH1A1
SCHEMBL3490532 0.83 FAAH (0.76) FAAHHDAC1HDAC2LMNACES1
SCHEMBL3488416 0.82 FAAH (0.79) FAAHHDAC1HDAC2LMNACES1
SCHEMBL3487569 0.82 FAAH (0.79) FAAHHDAC1HDAC2LMNACES1
SCHEMBL7632104 0.81 FAAH (0.55) FAAHS1PR4S1PR1S1PR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350892-B1 ENZYME INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2002-02-26 US disclosed
EP-1140791-A2 SELECTIVE CPLA 2 INHIBITORS Bristol-Myers Squibb Company (US) 2001-10-10 EP disclosed
EP-1140791-A4 SELECTIVE CPLA 2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2001-10-10 EP disclosed
US-6255496-B1 CYTOSOLIC PHOSPHATIDE 2-ACYLHYDROLASE ENZYME INHIBITORS; CONTROLLING INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY 2001-07-03 US disclosed
WO-1999015129-A2 SELECTIVE cPLA2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-04-01 WO disclosed