SCHEMBL17338136

SCHEMBL17338136

CCCCOC(=O)C(C)CCC=C(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.50
ALDH1A1 P00352 2/20 0.46
ATM Q13315 1/20 0.43
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL16897675 0.82 ALOX15 (0.51) ALOX15ALDH1A1TSHRHPGD
SCHEMBL16826935 0.82 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL27540592 0.80 ATM (0.43) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL1471817 0.80 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL5458029 0.80 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6234940 0.80 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL18859460 0.80 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL28815691 0.79 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL7219469 0.78 CA1 (0.55) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL12913884 0.77 CA1 (0.41) ATM

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
WO-2015191706-A1 TERPENE-DERIVED COMPOUNDS AND METHODS FOR PREPARING AND USING SAME P2 SCIENCE, INC. (US) 2015-12-17 WO disclosed