SCHEMBL8855705

SCHEMBL8855705

CCCCCCCCCCCC1O[C@H]1CCCCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
EPHX1 P07099 1/20 0.46
SPHK1 Q9NYA1 7/20 0.45
SPHK2 Q9NRA0 6/20 0.45
POLB P06746 1/20 0.39
FASN P49327 1/20 0.39
DAGLA Q9Y4D2 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL11687578 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTHRBEPHX1SPHK1
SCHEMBL11688324 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTHRBEPHX1SPHK1
SCHEMBL7110587 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTHRBEPHX1SPHK1
SCHEMBL8727383 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTHRBEPHX1SPHK1
SCHEMBL8855730 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTHRBEPHX1SPHK1
SCHEMBL5685367 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTHRBEPHX1SPHK1
SCHEMBL11689950 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTHRBEPHX1SPHK1
SCHEMBL8855829 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTHRBEPHX1SPHK1
SCHEMBL11809342 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTHRBEPHX1SPHK1
SCHEMBL8855707 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTHRBEPHX1SPHK1

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-5683708-A Composition of chemicals for manipulating the behavior of nun moth, Lymantria monacha (L.), and gypsy moth, Lymantria dispar (L.) SIMON FRASER UNIVERSITY (CA) 1997-11-04 US disclosed