SCHEMBL4744454

SCHEMBL4744454

Cc1oc(-c2cccs2)nc1CCOc1ccc(CN2CCCC[C@@H]2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.57
PPARA Q07869 8/20 0.57
PPARD Q03181 3/20 0.57
KDM4E B2RXH2 6/20 0.51
CD274 Q9NZQ7 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.46
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
PDCD1 Q15116 1/20 0.44

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
SCHEMBL4787444 1.00 PPARG (0.57) PPARGPPARAPPARDKDM4ECD274
SCHEMBL4748385 0.98 PPARG (0.58) PPARGPPARAPPARDKDM4ECD274
SCHEMBL4748383 0.98 PPARG (0.58) PPARGPPARAPPARDKDM4ECD274
SCHEMBL4744877 0.92 PPARG (0.54) PPARGPPARAPPARDKDM4EKMT2A
SCHEMBL4744879 0.92 PPARG (0.54) PPARGPPARAPPARDKDM4EKMT2A
SCHEMBL4744569 0.91 KDM4E (0.52) PPARGPPARAPPARDKDM4ECD274
SCHEMBL4744449 0.91 KDM4E (0.52) PPARGPPARAPPARDKDM4ECD274
SCHEMBL4743654 0.90 PPARA (0.57) PPARGPPARAPPARDKDM4ECD274
SCHEMBL4744650 0.90 PPARA (0.57) PPARGPPARAPPARDKDM4ECD274
SCHEMBL4743660 0.90 PPARA (0.57) PPARGPPARAPPARDKDM4ECD274

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
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO claimed
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed