SCHEMBL7336865

SCHEMBL7336865

CCCCS(=O)(=O)NC(Cc1ccc(C(C)=O)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.62
ITGA2B P08514 10/20 0.62
ITGAV P06756 3/20 0.55
CHRM2 P08172 1/20 0.55
SLC6A4 P31645 1/20 0.55
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL8602814 0.88 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL3268531 0.87 ITGB3 (0.65) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7400070 0.87 ITGB3 (0.65) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL6032775 0.87 ITGB3 (0.64) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8713012 0.86 ITGB3 (0.67) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL28404391 0.86 ITGB3 (0.64) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8713009 0.86 ITGB3 (0.67) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL28404388 0.86 ITGB3 (0.64) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7622370 0.82 ITGB3 (0.61) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL5603960 0.82 ITGB3 (0.61) ITGB3ITGA2BITGAVCHRM2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed