SCHEMBL7274084

SCHEMBL7274084

COC(=O)C(Cc1ccc(OCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1)N(C=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 7/20 0.60
GPR119 Q8TDV5 8/20 0.50
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
PRMT5 O14744 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
SCHEMBL7272135 0.93 YAP1 (0.58) YAP1GPR119ITGB3ITGA2BKDM4E
SCHEMBL9312168 0.88 YAP1 (0.55) YAP1GPR119ITGB3ITGA2BKDM4E
SCHEMBL7313782 0.81 YAP1 (0.63) YAP1GPR119ITGB3ITGA2BKDM4E
SCHEMBL7309801 0.81 YAP1 (0.63) YAP1GPR119ITGB3ITGA2B
SCHEMBL7358570 0.80 CA12 (0.46) ITGB3ITGA2BKDM4E
SCHEMBL7282664 0.79 YAP1 (0.72) YAP1GPR119ITGB3ITGA2B
SCHEMBL7272131 0.79 YAP1 (0.71) YAP1ITGB3ITGA2B
SCHEMBL7315176 0.78 YAP1 (0.59) YAP1GPR119ITGB3ITGA2B
SCHEMBL7312363 0.78 GPR119 (0.62) YAP1GPR119ITGB3ITGA2B
SCHEMBL7315022 0.78 GPR119 (0.64) YAP1GPR119

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-0478363-B1 Novel sulfonamide fibrinogen receptor antagonists MERCK & CO INC (US) 1997-03-19 EP disclosed
US-5294616-A Anticoagulants, inhibition of fibrinogen binding to blood platelets MERCK & CO., INC. (US) 1994-03-15 US disclosed
WO-1993019046-A1 NOVEL SULFONAMIDE FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1993-09-30 WO disclosed
EP-0478363-A2 Novel sulfonamide fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed