SCHEMBL7280338

SCHEMBL7280338

COC(=O)C(Cc1ccccc1OCCCCC1CCN(C(=O)OC(C)(C)C)CC1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.51
TGFBR1 P36897 2/20 0.48
HTR6 P50406 1/20 0.48
YAP1 P46937 1/20 0.47
LIMK2 P53671 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
MMP13 P45452 6/20 0.44
MMP1 P03956 3/20 0.44
MMP3 P08254 3/20 0.44
MMP7 P09237 3/20 0.44
MMP9 P14780 3/20 0.44
MMP8 P22894 3/20 0.44
MMP2 P08253 2/20 0.44

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
SCHEMBL7282950 0.90 STS (0.52) GPR119TGFBR1HTR6YAP1ITGB3
SCHEMBL7279787 0.89 ITGB3 (0.47) GPR119TGFBR1HTR6YAP1ITGB3
SCHEMBL7280754 0.88 GPR119 (0.48) GPR119TGFBR1HTR6YAP1ITGB3
SCHEMBL7280345 0.87 ITGB3 (0.62) GPR119YAP1ITGB3ITGA2BMMP13
SCHEMBL7442789 0.84 STS (0.51) GPR119HTR6YAP1ITGB3ITGA2B
SCHEMBL7280689 0.83 GPR119 (0.51) GPR119TGFBR1HTR6YAP1
SCHEMBL7279210 0.78 GPR119 (0.49) GPR119TGFBR1HTR6YAP1
SCHEMBL7282956 0.78 YAP1 (0.64) GPR119YAP1ITGB3ITGA2B
SCHEMBL7413655 0.76 GPR119 (0.57) GPR119TGFBR1HTR6
SCHEMBL7404484 0.76 ITGB3 (0.48) TGFBR1HTR6YAP1LIMK2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6040317-A AN ANTIAGGLOMERANTS USEFUL IN THE PREVENTION AND TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION MERCK & CO., INC. (US) 2000-03-21 US disclosed
US-5658929-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-08-19 US disclosed
EP-0478363-B1 Novel sulfonamide fibrinogen receptor antagonists MERCK & CO INC (US) 1997-03-19 EP disclosed
EP-0743302-A2 Sulfonamide fibrinogen receptor antagonists MERCK & CO. INC. (US) 1996-11-20 EP disclosed
US-5292756-A Novel sulfonamide fibrinogen receptor antagonists MERCK & CO., INC. (US) 1994-03-08 US disclosed
EP-0478363-A2 Novel sulfonamide fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed