SCHEMBL9115974

SCHEMBL9115974

C=C(C)C/C=C/[C@H](C)CCO

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 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
SCHEMBL9115979 1.00 ALDH1A1 (0.32) ALDH1A1ALOX15MEN1TSHRKMT2A
SCHEMBL9115990 1.00 ALDH1A1 (0.32) ALDH1A1ALOX15MEN1TSHRKMT2A
SCHEMBL9115980 1.00 ALDH1A1 (0.32) ALDH1A1ALOX15MEN1TSHRKMT2A
SCHEMBL11339192 0.75
SCHEMBL13496321 0.73
SCHEMBL13957440 0.73
SCHEMBL466583 0.73
SCHEMBL466584 0.73
SCHEMBL10768774 0.72 MEN1 (0.33) ALDH1A1ALOX15MEN1TSHRKMT2A
SCHEMBL10768772 0.72 MEN1 (0.33) ALDH1A1ALOX15MEN1TSHRKMT2A

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-7033757-A None JP disclosed
JP-H0733757-A PRODUCTION OF OPTICALLY ACTIVE (-R)-3,7-DIMETHYL4,7-OCTADIEN-1-OL AND OPTICALLY ACTIVE (R)-CIS-4METHYL-2-(2-METHYL-1-PROPNEYL)-TETRAHYDROPYRAN KAWAKEN FINE CHEM CO LTD 1995-02-03 JP disclosed