SCHEMBL8713012

SCHEMBL8713012

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

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.67
ITGA2B P08514 10/20 0.67
ITGAV P06756 2/20 0.56
CHRM2 P08172 1/20 0.56
SLC6A4 P31645 1/20 0.56
CA2 P00918 1/20 0.48
TDP1 Q9NUW8 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
MMP2 P08253 4/20 0.42
MMP9 P14780 3/20 0.42
ADAMTS4 O75173 1/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 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
SCHEMBL8713009 1.00 ITGB3 (0.67) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7400070 0.88 ITGB3 (0.65) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL3268531 0.88 ITGB3 (0.65) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL6032775 0.88 ITGB3 (0.64) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7388543 0.87 ITGB3 (0.55) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL28404391 0.87 ITGB3 (0.64) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL28404388 0.87 ITGB3 (0.64) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7336865 0.86 ITGB3 (0.62) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8720939 0.84 ITGB3 (0.77) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7622370 0.83 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
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