SCHEMBL7273552

SCHEMBL7273552

COC(=O)CC(Cc1ccccc1OCCCCC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.48
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
GPR119 Q8TDV5 4/20 0.43
HTT P42858 1/20 0.43
ITGAV P06756 1/20 0.42
P2RX7 Q99572 5/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NTSR1 P30989 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL7273559 0.89 ITGB3 (0.59) YAP1ITGB3ITGA2BGPR119ITGAV
SCHEMBL7279210 0.82 GPR119 (0.49) YAP1GPR119
SCHEMBL7280689 0.79 GPR119 (0.51) YAP1GPR119
SCHEMBL7282664 0.79 YAP1 (0.72) YAP1ITGB3ITGA2BGPR119ITGAV
SCHEMBL7415893 0.78 GPR119 (0.45) YAP1ITGB3ITGA2BGPR119HTT
SCHEMBL7282950 0.78 STS (0.52) YAP1ITGB3ITGA2BGPR119
SCHEMBL8297504 0.78 HTT (0.61) YAP1ITGB3ITGA2BGPR119HTT
SCHEMBL5569616 0.78 YAP1 (0.55) YAP1GPR119HTTP2RX7MAPT
SCHEMBL24336797 0.78 YAP1 (0.66) YAP1ITGB3ITGA2BGPR119ITGAV
SCHEMBL7292244 0.78 ITGB3 (0.71) YAP1ITGB3ITGA2BITGAVP2RX7

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 7 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
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