SCHEMBL8905183

SCHEMBL8905183

CCCCS(=O)(=O)NC(Cc1ccc(NC(=O)c2occ3cc(C#N)ccc23)cc1)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
ITGAV P06756 1/20 0.38
CHRM2 P08172 1/20 0.38
SLC6A4 P31645 1/20 0.38
NLRP3 Q96P20 1/20 0.37
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
CDK2 P24941 1/20 0.35
PLAU P00749 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
FPR2 P25090 2/20 0.32

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
SCHEMBL8904310 0.86 ITGB3 (0.47) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8712774 0.85 ITGB3 (0.43) CNR2CNR1ITGB3ITGA2BITGAV
SCHEMBL8905600 0.78 ITGB3 (0.54) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8903869 0.78 ITGB3 (0.54) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8905965 0.74 PLAU (0.40) CNR1PLAUSIRT2ALDH1A1
SCHEMBL7392208 0.71 ITGB3 (0.44) CNR2CNR1ITGB3ITGA2BITGAV
SCHEMBL7229783 0.71 ITGB3 (0.54) CNR2CNR1ITGB3ITGA2BITGAV
SCHEMBL7279566 0.71 ITGB3 (0.54) CNR2CNR1ITGB3ITGA2BITGAV
SCHEMBL8718269 0.71 KMT2A (0.44) PLAUALDH1A1NPSR1
SCHEMBL8713085 0.70 ITGB3 (0.60) ITGB3ITGA2BPLAU

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
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed