SCHEMBL7415893

SCHEMBL7415893

CCC(=O)Oc1cccc(OCCCCC2CCN(C(=O)OC(C)(C)C)CC2)c1NC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.45
YAP1 P46937 3/20 0.45
BACE1 P56817 1/20 0.43
HTR6 P50406 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
STS P08842 1/20 0.40
FAAH O00519 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NTSR1 P30989 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL7416559 0.94 YAP1 (0.44) GPR119YAP1BACE1HTR6KDM4E
SCHEMBL7416512 0.84 STS (0.52) GPR119YAP1HTR6KDM4EPKM
SCHEMBL7418854 0.83 GPR119 (0.47) GPR119YAP1HTR6KDM4EPKM
SCHEMBL7416686 0.80 GPR119 (0.46) GPR119YAP1KDM4EPKMITGB3
SCHEMBL7467827 0.79 GPR119 (0.50) GPR119HTR6STS
SCHEMBL7417403 0.79 STS (0.51) GPR119YAP1HTR6KDM4EPKM
SCHEMBL7413671 0.78 STS (0.50) GPR119YAP1HTR6KDM4EPKM
SCHEMBL7273552 0.78 YAP1 (0.48) GPR119YAP1BACE1ITGB3ITGA2B
SCHEMBL7417427 0.77 TGFBR1 (0.52) GPR119HTR6
SCHEMBL20659982 0.76 KDM4E (0.56) GPR119YAP1KDM4EPKMITGB3

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