SCHEMBL7314939

SCHEMBL7314939

COC(=O)C(CSCc1ccccc1)Cc1ccc(OCCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.57
GPR119 Q8TDV5 10/20 0.54
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
STS P08842 1/20 0.43
ITGAV P06756 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL7313782 0.93 YAP1 (0.63) YAP1GPR119ITGB3ITGA2BSTS
SCHEMBL7318599 0.89 GPR119 (0.54) YAP1GPR119ITGB3ITGA2BITGAV
SCHEMBL7315176 0.87 YAP1 (0.59) YAP1GPR119ITGB3ITGA2BSTS
SCHEMBL7320864 0.86 GPR119 (0.60) YAP1GPR119KDM4EPKM
SCHEMBL7313355 0.85 KDM4E (0.55) YAP1GPR119KDM4EPKM
SCHEMBL7312363 0.84 GPR119 (0.62) YAP1GPR119ITGB3ITGA2B
SCHEMBL7309801 0.84 YAP1 (0.63) YAP1GPR119ITGB3ITGA2BITGAV
SCHEMBL7315022 0.84 GPR119 (0.64) YAP1GPR119
SCHEMBL7308698 0.83 GPR119 (0.63) YAP1GPR119ITGB3ITGA2B
SCHEMBL7282956 0.82 YAP1 (0.64) YAP1GPR119ITGB3ITGA2BSTS

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