SCHEMBL4037802

SCHEMBL4037802

Cc1oc(-c2ccccc2)nc1COc1cc(COc2ncccc2CC(=O)O)on1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
FFAR1 O14842 1/20 0.47
KDR P35968 1/20 0.44
PPARG P37231 13/20 0.43
PPARA Q07869 13/20 0.43
TP53 P04637 1/20 0.42
PPARD Q03181 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL4034587 0.90 KDR (0.51) KDM4EFFAR1KDRPPARGPPARA
SCHEMBL6998371 0.88 KDM4E (0.53) KDM4EFFAR1KDRPPARGPPARA
SCHEMBL4034022 0.86 KDR (0.42) KDM4EFFAR1KDRPPARGPPARA
SCHEMBL5403564 0.85 KDM4E (0.47) KDM4EFFAR1KDRPPARGPPARA
SCHEMBL4030645 0.84 FFAR1 (0.52) KDM4EFFAR1PPARGPPARA
SCHEMBL4035756 0.84 PPARA (0.37) KDM4EPPARGPPARAPPARD
SCHEMBL4031015 0.84 KDR (0.43) KDM4EFFAR1KDRPPARGPPARA
SCHEMBL4028802 0.83 FFAR1 (0.64) KDM4EFFAR1KDRPPARGPPARA
SCHEMBL4035460 0.82 FFAR1 (0.63) KDM4EFFAR1KDRPPARGPPARA
SCHEMBL4035103 0.82 KDR (0.43) KDM4EFFAR1KDRPPARGPPARA

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