SCHEMBL4748145

SCHEMBL4748145

[CH2]c1ccc(OCc2nc(-c3cccs3)oc2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.60
PPARG P37231 6/20 0.49
PPARD Q03181 3/20 0.48
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 6/20 0.45
HPGD P15428 5/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
HSD17B10 Q99714 3/20 0.44
GAA P10253 1/20 0.44
FFAR1 O14842 1/20 0.44
TP53 P04637 1/20 0.44
KDR P35968 1/20 0.41

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) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL4744872 0.84 PPARA (0.64) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL4748231 0.84 PPARA (0.64) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL6204165 0.80 PPARA (0.78) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL4031030 0.79 PPARA (0.74) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL12442798 0.78 PPARA (0.64) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL4031035 0.78 PPARA (0.65) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL4025622 0.77 PPARA (0.59) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL4031028 0.77 PPARA (0.69) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL4025632 0.77 PPARA (0.61) PPARAPPARGPPARDKDM4EALDH1A1

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 claimed