SCHEMBL7309801

SCHEMBL7309801

COC(=O)C(Cc1ccc(OCCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 6/20 0.63
GPR119 Q8TDV5 6/20 0.56
ITGB3 P05106 6/20 0.50
ITGA2B P08514 6/20 0.50
ITGAV P06756 1/20 0.50
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NTSR1 P30989 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7315022 0.92 GPR119 (0.64) YAP1GPR119
SCHEMBL7312363 0.90 GPR119 (0.62) YAP1GPR119ITGB3ITGA2B
SCHEMBL7313782 0.89 YAP1 (0.63) YAP1GPR119ITGB3ITGA2BITGAV
SCHEMBL7282664 0.88 YAP1 (0.72) YAP1GPR119ITGB3ITGA2BITGAV
SCHEMBL24336797 0.85 YAP1 (0.66) YAP1GPR119ITGB3ITGA2BITGAV
SCHEMBL7292244 0.85 ITGB3 (0.71) YAP1ITGB3ITGA2BITGAV
SCHEMBL7986551 0.85 ITGB3 (0.71) YAP1ITGB3ITGA2BITGAV
SCHEMBL7273559 0.84 ITGB3 (0.59) YAP1GPR119ITGB3ITGA2BITGAV
SCHEMBL7308698 0.84 GPR119 (0.63) YAP1GPR119ITGB3ITGA2B
SCHEMBL7282956 0.84 YAP1 (0.64) YAP1GPR119ITGB3ITGA2BITGAV

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
WO-1993016697-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1993-09-02 WO claimed
WO-1993016697-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1993-09-02 WO disclosed
US-5227490-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1993-07-13 US disclosed