SCHEMBL11068228

SCHEMBL11068228

CCOC(=O)C(C)(CC)Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.78
LTA4H P09960 11/20 0.48
PPARA Q07869 4/20 0.47
PPARG P37231 3/20 0.47
MMP8 P22894 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
HTR2A P28223 1/20 0.47
PMP22 Q01453 1/20 0.47
ELANE P08246 1/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 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
SCHEMBL11066953 0.89 OPRK1 (0.63) OPRK1LTA4HPPARAPPARGMMP8
SCHEMBL11358611 0.88 OPRK1 (0.63) OPRK1PPARAPPARGMMP8ABCB11
Beclobrate SCHEMBL3950803 0.88 OPRK1 (1.00) OPRK1PPARAPPARGABCB11CYP1A2
Beclobrate SCHEMBL49779 0.88 OPRK1 (1.00) OPRK1PPARAPPARGABCB11CYP1A2
SCHEMBL5660644 0.86 OPRK1 (0.60) OPRK1PPARAPPARGLMNAALDH1A1
SCHEMBL11459021 0.83 OPRK1 (0.54) OPRK1LTA4HPPARAPPARGELANE
SCHEMBL22238907 0.82 OPRK1 (0.68) OPRK1PPARAPPARGABCB11CYP1A2
SCHEMBL4874274 0.81 OPRK1 (0.66) OPRK1LTA4HPPARAPPARGABCB11
SCHEMBL14584556 0.80 OPRK1 (0.56) OPRK1PPARAPPARG
SCHEMBL14584527 0.80 OPRK1 (0.56) OPRK1PPARAPPARG

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 claimed