SCHEMBL9752875

SCHEMBL9752875

CCCCCCCCCCCCCCCC(=O)NC(CC(=O)O)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
FAAH O00519 2/20 0.57
LPAR1 Q92633 2/20 0.56
LPAR3 Q9UBY5 2/20 0.56
MME P08473 2/20 0.56
EPHX2 P34913 1/20 0.56
CERT1 Q9Y5P4 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL9753165 1.00 ITGB3 (0.61) ITGB3ITGA2BFAAHLPAR1LPAR3
SCHEMBL9753163 1.00 ITGB3 (0.61) ITGB3ITGA2BFAAHLPAR1LPAR3
SCHEMBL9752873 1.00 ITGB3 (0.61) ITGB3ITGA2BFAAHLPAR1LPAR3
SCHEMBL9752931 0.90 ENPP2 (0.55) FAAH
SCHEMBL8383184 0.88 CERT1 (0.67) FAAHLPAR1LPAR3EPHX2CERT1
SCHEMBL7765658 0.88 CERT1 (0.67) FAAHLPAR1LPAR3EPHX2CERT1
SCHEMBL8342096 0.88 CERT1 (0.67) FAAHLPAR1LPAR3EPHX2CERT1
SCHEMBL7765661 0.88 CERT1 (0.67) FAAHLPAR1LPAR3EPHX2CERT1
Phosphonic Acid SCHEMBL9220827 0.84 HPGD (0.58) FAAHLPAR1LPAR3EPHX2CERT1
SCHEMBL10964933 0.83 CYP1A2 (0.61) FAAHLPAR1LPAR3EPHX2CERT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 WO claimed
WO-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 WO disclosed