SCHEMBL7413671

SCHEMBL7413671

CCCCC(=O)Oc1cccc(OCCCCC2CCN(C(=O)OC(C)(C)C)CC2)c1NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.50
GPR119 Q8TDV5 8/20 0.49
HTR6 P50406 1/20 0.44
TGFBR1 P36897 2/20 0.42
YAP1 P46937 2/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
LIMK2 P53671 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL7417403 0.96 STS (0.51) STSGPR119HTR6TGFBR1YAP1
SCHEMBL7416512 0.93 STS (0.52) STSGPR119HTR6TGFBR1YAP1
SCHEMBL7416856 0.88 GPR119 (0.49) STSGPR119HTR6TGFBR1FAAH
SCHEMBL7417427 0.86 TGFBR1 (0.52) GPR119HTR6TGFBR1LIMK2
SCHEMBL7418854 0.86 GPR119 (0.47) STSGPR119HTR6TGFBR1YAP1
SCHEMBL7467827 0.85 GPR119 (0.50) STSGPR119HTR6TGFBR1
SCHEMBL7409713 0.85 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7416559 0.81 YAP1 (0.44) GPR119HTR6YAP1ITGB3ITGA2B
SCHEMBL7413311 0.81 GPR119 (0.46) GPR119HTR6TGFBR1LIMK2
SCHEMBL7415441 0.81 GPR119 (0.47) GPR119HTR6TGFBR1ITGB3ITGA2B

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