SCHEMBL4762960

SCHEMBL4762960

C=C(C)C1CCC(C)CC1CO

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.31
CYP1B1 Q16678 1/20 0.31
ALDH1A1 P00352 1/20 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
SCHEMBL26191630 1.00 ALOX15 (0.31) ALOX15CYP1B1ALDH1A1
SCHEMBL21504620 1.00 ALOX15 (0.31) ALOX15CYP1B1ALDH1A1
SCHEMBL4662926 0.80
SCHEMBL300849 0.78 TRPA1 (0.32)
SCHEMBL9951259 0.77 EPHX1 (0.35) ALDH1A1
SCHEMBL9950894 0.77 MEN1 (0.41) ALDH1A1
SCHEMBL699177 0.77
SCHEMBL10028634 0.77 MEN1 (0.41) ALDH1A1
SCHEMBL9951261 0.77 EPHX1 (0.35) ALDH1A1
Isopulegol SCHEMBL20530682 0.75 TRPA1 (0.41)

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
EP-1341512-B1 RHINOLOGICAL AGENTS SYMRISE GMBH & CO KG (DE) 2008-12-31 EP claimed