SCHEMBL8855073

SCHEMBL8855073

[CH2]C1CCCC1CCCCCCCCCCCC.[CH2]CCCCCCCCCCCCCCCCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP1A2 P05177 3/20 0.31

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
SCHEMBL7751399 1.00 EPHX1 (0.36) EPHX1ALOX5ALDH1A1S1PR2S1PR4
SCHEMBL1646032 0.96 CYP1A2 (0.35) EPHX1ALOX5ALDH1A1CYP1A2
SCHEMBL10788367 0.89 EPHX1 (0.38) EPHX1ALOX5ALDH1A1S1PR2S1PR4
SCHEMBL9949253 0.89 EPHX1 (0.41) EPHX1ALOX5ALDH1A1S1PR1S1PR3
SCHEMBL9949194 0.89 EPHX1 (0.41) EPHX1ALOX5ALDH1A1S1PR1S1PR3
SCHEMBL9949295 0.89 EPHX1 (0.41) EPHX1ALOX5ALDH1A1S1PR1S1PR3
SCHEMBL9950048 0.89 EPHX1 (0.41) EPHX1ALOX5ALDH1A1S1PR1S1PR3
SCHEMBL6057022 0.88 CA1 (0.40) EPHX1S1PR1S1PR3CHRNB2CHRNA7
SCHEMBL4873007 0.87 CHRNB2 (0.33) EPHX1CHRNB2CHRNA7CHRNA4
SCHEMBL9949104 0.87 CYP1A2 (0.41) EPHX1ALOX5ALDH1A1S1PR1S1PR3

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-5641499-A A PYRETHROID, A UV ABSORBING AGENT, AND AN ANTIOXIDANT ON A POLYETHYLENE SHEET Bencsits, Franz (CH) 1997-06-24 US disclosed