SCHEMBL4744872

SCHEMBL4744872

Cc1oc(-c2cccs2)nc1COc1ccc(CCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.64
PPARG P37231 8/20 0.55
PPARD Q03181 3/20 0.55
FFAR1 O14842 2/20 0.53
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDR P35968 1/20 0.45
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL5383003 0.86 PPARA (0.63) PPARAPPARGPPARDFFAR1MAPT
SCHEMBL4748231 0.84 PPARA (0.64) PPARAPPARGPPARDFFAR1MAPT
SCHEMBL4031028 0.84 PPARA (0.69) PPARAPPARGPPARDFFAR1MAPT
SCHEMBL4748145 0.84 PPARA (0.60) PPARAPPARGPPARDFFAR1MAPT
SCHEMBL4025236 0.82 PPARA (0.64) PPARAPPARGPPARDFFAR1MAPT
SCHEMBL4025622 0.82 PPARA (0.59) PPARAPPARGPPARDFFAR1MAPT
SCHEMBL4031030 0.82 PPARA (0.74) PPARAPPARGPPARDFFAR1MAPT
SCHEMBL5228001 0.82 ALDH1A1 (0.52) PPARAPPARGPPARDMAPTKDM4E
SCHEMBL4746637 0.81 FFAR1 (0.77) PPARAPPARGPPARDFFAR1MAPT
SCHEMBL6203331 0.81 PPARA (0.65) PPARAPPARGPPARDFFAR1MAPT

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 1 patent. 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 disclosed