SCHEMBL4032055

SCHEMBL4032055

Cc1oc(-c2ccccc2)nc1COc1ccc(COc2ccc(Cl)cc2CC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.61
PPARG P37231 16/20 0.55
PPARA Q07869 16/20 0.55
KDR P35968 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL4035539 0.92 FFAR1 (0.56) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4031396 0.92 FFAR1 (0.64) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL2534811 0.91 FFAR1 (0.63) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4030062 0.91 FFAR1 (0.63) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4032405 0.91 FFAR1 (0.63) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4034488 0.90 FFAR1 (0.62) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL5202665 0.89 FFAR1 (0.61) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4032841 0.89 FFAR1 (0.61) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4034630 0.89 FFAR1 (0.68) FFAR1PPARGPPARAKDRKDM4E
SCHEMBL4037966 0.89 FFAR1 (0.63) FFAR1PPARGPPARAKDRKDM4E

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
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed