SCHEMBL7417427

SCHEMBL7417427

CCCC(=O)Oc1cccc(OCCCCC2CCN(C(=O)OC(C)(C)C)CC2)c1NS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.52
GPR119 Q8TDV5 4/20 0.51
HTR6 P50406 2/20 0.51
LIMK2 P53671 1/20 0.49
BCHE P06276 1/20 0.45

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 0.90 STS (0.51) TGFBR1GPR119HTR6LIMK2BCHE
SCHEMBL7416856 0.89 GPR119 (0.49) TGFBR1GPR119HTR6
SCHEMBL7413311 0.88 GPR119 (0.46) TGFBR1GPR119HTR6LIMK2BCHE
SCHEMBL7415441 0.88 GPR119 (0.47) TGFBR1GPR119HTR6LIMK2
SCHEMBL7413671 0.86 STS (0.50) TGFBR1GPR119HTR6LIMK2
SCHEMBL7415294 0.84 GPR119 (0.53) TGFBR1GPR119HTR6
SCHEMBL7416559 0.84 YAP1 (0.44) GPR119HTR6BCHE
SCHEMBL7416512 0.83 STS (0.52) TGFBR1GPR119HTR6LIMK2
SCHEMBL7467827 0.83 GPR119 (0.50) TGFBR1GPR119HTR6
SCHEMBL7418854 0.82 GPR119 (0.47) TGFBR1GPR119HTR6LIMK2BCHE

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