SCHEMBL11072228

SCHEMBL11072228

CCC(C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.78
PPARA Q07869 9/20 0.50
PPARG P37231 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
ABCB11 O95342 2/20 0.50
TSHR P16473 2/20 0.50
HTR2A P28223 2/20 0.50
PMP22 Q01453 2/20 0.50
FABP2 P12104 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PPARD Q03181 1/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 2/20 0.45
ELANE P08246 2/20 0.45
CYP2D6 P10635 1/20 0.45
SLC22A12 Q96S37 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
SCHEMBL19183361 0.93 OPRK1 (0.66) OPRK1PPARAPPARGCYP1A2CYP3A4
SCHEMBL11071169 0.88 OPRK1 (0.76) OPRK1PPARAPPARGCYP1A2CYP3A4
Beclobrate SCHEMBL3950803 0.88 OPRK1 (1.00) OPRK1PPARAPPARGCYP1A2CYP3A4
Beclobrate SCHEMBL49779 0.88 OPRK1 (1.00) OPRK1PPARAPPARGCYP1A2CYP3A4
SCHEMBL11478612 0.86 OPRK1 (0.73) OPRK1PPARAPPARGCYP1A2CYP3A4
SCHEMBL11073216 0.86 OPRK1 (0.73) OPRK1PPARAPPARGCYP1A2CYP3A4
SCHEMBL11071767 0.85 OPRK1 (0.81) OPRK1PPARAPPARGCYP1A2CYP3A4
SCHEMBL11068359 0.85 OPRK1 (0.73) OPRK1PPARAPPARGCYP1A2CYP3A4
SCHEMBL11470655 0.84 OPRK1 (0.79) OPRK1PPARAPPARGCYP1A2CYP3A4
SCHEMBL12853898 0.81 OPRK1 (0.50) OPRK1ALDH1A1MEN1MAPTKMT2A

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
US-4483999-A Phenoxy alkanoic acid derivatives having the ability to lower the level of fatty substances in the blood SIEGFRIED AKTIENGESELLSCHAFT (CH) 1984-11-20 US disclosed