SCHEMBL7415441

SCHEMBL7415441

CCCC(=O)Oc1cccc(OCCCCC2CCN(C(=O)OC(C)(C)C)CC2)c1NS(=O)(=O)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.47
TGFBR1 P36897 8/20 0.43
HTR6 P50406 1/20 0.42
SCN9A Q15858 1/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
LIMK2 P53671 1/20 0.39

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
SCHEMBL7417427 0.88 TGFBR1 (0.52) GPR119TGFBR1HTR6LIMK2
SCHEMBL7416856 0.86 GPR119 (0.49) GPR119TGFBR1HTR6SCN9A
SCHEMBL7417403 0.84 STS (0.51) GPR119TGFBR1HTR6ITGB3ITGA2B
SCHEMBL7413311 0.84 GPR119 (0.46) GPR119TGFBR1HTR6SCN9ALIMK2
SCHEMBL7415294 0.81 GPR119 (0.53) GPR119TGFBR1HTR6SCN9A
SCHEMBL7467827 0.81 GPR119 (0.50) GPR119TGFBR1HTR6SCN9A
SCHEMBL7413671 0.81 STS (0.50) GPR119TGFBR1HTR6ITGB3ITGA2B
SCHEMBL7416559 0.78 YAP1 (0.44) GPR119HTR6ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7409715 0.78 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7416512 0.78 STS (0.52) GPR119TGFBR1HTR6SCN9AITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880136-A PREVENTING THROMBUS FORMATION MERCK & CO., INC. (US) 1999-03-09 US disclosed
US-5814643-A ANTICOAGULANTS MERCK & CO., INC. (US) 1998-09-29 US disclosed