SCHEMBL27620481

SCHEMBL27620481

Cc1cc([CH]c2ccccc2)cc(C)c1O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 12/20 0.70
PTGS2 P35354 12/20 0.70
ALOX5 P09917 11/20 0.70
TTR P02766 3/20 0.70
SIRT1 Q96EB6 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 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
SCHEMBL7708736 0.86 CA1 (0.55) PTGS1PTGS2ALOX5TTRCYP1A2
SCHEMBL12644239 0.83 PTGS1 (1.00) PTGS1PTGS2ALOX5TTR
SCHEMBL10946633 0.83 PTGS1 (1.00) PTGS1PTGS2ALOX5TTR
Benzaldehyde SCHEMBL27604595 0.79 PTGS1 (0.66) PTGS1PTGS2ALOX5TTRSIRT1
SCHEMBL3304081 0.76 TTR (0.45) PTGS1PTGS2ALOX5TTRCYP1A2
SCHEMBL10964373 0.74 TNFRSF1A (0.55) PTGS1PTGS2ALOX5SIRT1CYP1A2
SCHEMBL12355310 0.74 PTGS1 (0.53) PTGS1PTGS2ALOX5TTR
SCHEMBL2243835 0.74 PTGS1 (0.53) PTGS1PTGS2ALOX5TTR
SCHEMBL1302 0.72 ALDH1A1 (0.53) ALOX5CYP1A2CYP2D6CYP2C9
SCHEMBL1824103 0.71 PTGS1 (0.74) PTGS1PTGS2ALOX5TTRCYP1A2

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
CN-1757130-A Polymer electrolyte material, polymer electrolyte part, film electrode composite element and polymer electrolyte fuel cells TORAY INDUSTRIES (JP) 2006-04-05 CN disclosed