SCHEMBL11020458

SCHEMBL11020458

CC(CCOCc1cccc2ccccc12)(Oc1ccc(O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.51
▸ PPARA Q07869 6/20 0.51
▸ PARP10 Q53GL7 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ ADRB3 P13945 1/20 0.42
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL10639678 0.85 MAOB (0.44) PPARGPPARAPPARDFFAR1
SCHEMBL11199568 0.85 PARP10 (0.43) PPARGPPARAPARP10KMT2AFFAR1
SCHEMBL10635993 0.84 MAOB (0.45) PPARGPPARAPARP10MEN1KMT2A
SCHEMBL10636695 0.84 PPARA (0.47) PPARGPPARACYP2C19PPARDMEN1
SCHEMBL11193871 0.83 L3MBTL1 (0.42) PPARGPPARAPARP10MEN1KMT2A
SCHEMBL10636207 0.82 PPARG (0.52) PPARGPPARACYP2C19PPARDTDP1
SCHEMBL11199783 0.80 MAOB (0.49) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL11199788 0.80 MAOB (0.49) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL10633515 0.80 PPARG (0.50) PPARGPPARACYP2C19PPARDTDP1
SCHEMBL11188974 0.78 MAOB (0.44) PPARGPPARAPARP10MEN1KMT2A

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
EP-0141319-A2 Substituted phenoxyalcanoic-acid ester NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-05-15 — — EP disclosed
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