SCHEMBL8439788

SCHEMBL8439788

CCCCc1cc(OC)c(C)c(C)c1C

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
ALOX5 P09917 12/20 0.45
PTGS2 P35354 4/20 0.44
HMGCR P04035 1/20 0.43
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL24119648 0.81 HTR2A (0.61) HTR2AALOX5PTGS2HMGCRTAAR1
SCHEMBL27505020 0.81 ALOX5 (0.54) HTR2AALOX5PTGS2HMGCR
SCHEMBL26063286 0.81 ALDH1A1 (0.47) ALOX5PTGS2
SCHEMBL14496453 0.79 TAAR1 (0.48) HTR2APTGS2HMGCRTAAR1
SCHEMBL1838777 0.78 ALOX5 (0.40) HTR2AALOX5
SCHEMBL25554478 0.77 ALOX5 (0.52) HTR2AALOX5PTGS2
SCHEMBL14655201 0.76 TAAR1 (0.50) HTR2AALOX5PTGS2HMGCRTAAR1
SCHEMBL27723120 0.76 ALOX5 (0.37) HTR2AALOX5PTGS2
SCHEMBL1287616 0.75 TYR (0.39) ALOX5
Water SCHEMBL28059852 0.74 ALOX5 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11199890-A None JP disclosed
JP-H11199890-A USE OF 1-METHOXY-2-METHYL-3-PHENYLPROPANE, 1-(2-METHOXYPROPYL)-4-METHYLBENZENE AND 3-METHOXY-2,2,3-TRIMETHYL-1-PHENYLBUTANE IN PERFUME FIRMENICH SA 1999-07-27 JP disclosed