SCHEMBL16268485

SCHEMBL16268485

CC1=CCCC(C)(C)C1CCC(C)C=O.CCCCCC=CC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PRKCA P17252 4/20 0.33
▸ CNR1 P21554 3/20 0.32
▸ CNR2 P34972 3/20 0.32
▸ PTPN1 P18031 1/20 0.30
▸ CDC25A P30304 1/20 0.30
▸ DUSP3 P51452 1/20 0.30

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
SCHEMBL16268482 1.00 ALOX15 (0.37) ALOX15ALDH1A1CYP3A4TDP1PRKCA
SCHEMBL16268483 0.81 ALOX15 (0.37) ALOX15ALDH1A1CYP3A4TDP1PTPN1
SCHEMBL933394 0.79 ALOX15 (0.39) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL27672932 0.74 ALOX15 (0.35) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL4773549 0.70 ALOX15 (0.35) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL4078385 0.68 ALOX15 (0.40) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL1404268 0.67 CNR1 (0.49) ALOX15CYP3A4CNR1CNR2PTPN1
SCHEMBL1404267 0.67 CNR1 (0.49) ALOX15CYP3A4CNR1CNR2PTPN1
SCHEMBL9244975 0.65 PPARG (0.51) ALOX15CYP3A4TDP1CNR1CNR2
SCHEMBL6896336 0.65 PPARG (0.51) ALOX15CYP3A4TDP1CNR1CNR2

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
EP-3004157-A1 OLFACTORY RECEPTORS INVOLVED IN THE PERCEPTION OF SWEAT CARBOXYLIC ACIDS AND THE USE THEREOF ChemCom S.A. (BE) 2016-04-13 — — EP disclosed
WO-2014191047-A1 OLFACTORY RECEPTORS INVOLVED IN THE PERCEPTION OF SWEAT CARBOXYLIC ACIDS AND THE USE THEREOF CHEMCOM S.A. (BE) 2014-12-04 — — WO disclosed
Send feedback