SCHEMBL28404388

SCHEMBL28404388

CCCCS(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.64
ITGA2B P08514 9/20 0.64
ITGAV P06756 2/20 0.56
CHRM2 P08172 1/20 0.56
SLC6A4 P31645 1/20 0.56
ADAMTS5 Q9UNA0 1/20 0.52
MMP2 P08253 1/20 0.52
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
CA2 P00918 1/20 0.47
PPARA Q07869 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
PPARG P37231 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
SCHEMBL28404391 1.00 ITGB3 (0.64) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL3268531 0.88 ITGB3 (0.65) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7400070 0.88 ITGB3 (0.65) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL6032775 0.88 ITGB3 (0.64) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8713012 0.87 ITGB3 (0.67) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8713009 0.87 ITGB3 (0.67) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL29799532 0.86 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7336865 0.86 ITGB3 (0.62) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7622370 0.83 ITGB3 (0.61) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL4067325 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233748-B Synthesis of tirofiban hydrochloride 江苏慧聚药业股份有限公司 2022-07-26 CN disclosed
CN-111233748-A Synthesis of tirofiban hydrochloride 海门慧聚药业有限公司 2020-06-05 CN disclosed