SCHEMBL10334240

SCHEMBL10334240

CCCCCCC1CCC=CO1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.42
PPARG P37231 2/20 0.38
PTAFR P25105 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
GRM2 Q14416 9/20 0.34
RAD52 P43351 1/20 0.33

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
SCHEMBL5820074 0.98 EPHX1 (0.47) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL31315086 0.89 EPHX1 (0.47) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL16404862 0.84
SCHEMBL6240269 0.81 ALDH1A1 (0.52) EPHX1ALDH1A1CYP1A2PPARGGRM2
SCHEMBL10552644 0.81 ALDH1A1 (0.52) EPHX1ALDH1A1CYP1A2PPARGGRM2
SCHEMBL10555211 0.81 ALDH1A1 (0.52) EPHX1ALDH1A1CYP1A2PPARGGRM2
SCHEMBL260947 0.81 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL10559284 0.81 ALDH1A1 (0.52) EPHX1ALDH1A1CYP1A2PPARGGRM2
SCHEMBL29742370 0.81 ALDH1A1 (0.52) EPHX1ALDH1A1CYP1A2PPARGGRM2
SCHEMBL28159146 0.81 ALDH1A1 (0.52) EPHX1ALDH1A1CYP1A2PPARGGRM2

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-2158694-A None JP disclosed
JP-H02158694-A PERFUMERY COMPOSITION T HASEGAWA CO LTD 1990-06-19 JP disclosed