SCHEMBL21538203

SCHEMBL21538203

CC(C)=CCC/C(C)=C/CC[C@@]1(C)CCc2c(O)cc3c(c2O1)CNC3=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 18/20 0.52
▸ PPARG P37231 2/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ PPARA Q07869 1/20 0.46

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
SCHEMBL2624847 0.83 APP (0.38) ALOX5
SCHEMBL2624846 0.83 APP (0.38) ALOX5
SCHEMBL2624862 0.83 APP (0.38) ALOX5
SCHEMBL30678564 0.83 APP (0.38) ALOX5
SCHEMBL24632221 0.80 ALOX5 (0.49) ALOX5PPARGNR1I2PPARA
SCHEMBL21972850 0.80 ALOX5 (0.61) ALOX5PPARGNR1I2PPARA
SCHEMBL15744226 0.77 ALOX5 (0.54) ALOX5PPARGNR1I2PPARA
SCHEMBL2624816 0.76 ALOX5 (0.33) ALOX5PPARG
SCHEMBL66599 0.75 ALOX5 (0.83) ALOX5
SCHEMBL16430159 0.75 ALOX5 (0.83) ALOX5

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-RE47684-E1 Cytoprotective agent TMS CO., LTD. (JP) 2019-11-05 — — US disclosed
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