SCHEMBL8539157

SCHEMBL8539157

CCCCCCCC[C@H]1COCO[C@H]1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
EPHX1 P07099 1/20 0.41
SPHK1 Q9NYA1 7/20 0.38
SPHK2 Q9NRA0 6/20 0.38
ALOX5 P09917 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
GBA1 P04062 3/20 0.32
CYP1A2 P05177 2/20 0.32
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCI P41743 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCZ Q05513 1/20 0.31
PRKCD Q05655 1/20 0.31
PRKD1 Q15139 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
SCHEMBL15456660 0.84 ALDH1A1 (0.56) ALDH1A1EPHX1SPHK1SPHK2ALOX5
SCHEMBL10151503 0.76 ALDH1A1 (0.50) ALDH1A1EPHX1SPHK1SPHK2ALOX5
SCHEMBL18898574 0.76
SCHEMBL15456629 0.76
SCHEMBL7908546 0.75 ALDH1A1 (0.52) ALDH1A1EPHX1SPHK1SPHK2ALOX5
SCHEMBL29013311 0.75 ALDH1A1 (0.72) ALDH1A1EPHX1SPHK1SPHK2TDP1
SCHEMBL29013315 0.75 ALDH1A1 (0.72) ALDH1A1EPHX1SPHK1SPHK2TDP1
SCHEMBL10975795 0.75 ALDH1A1 (0.72) ALDH1A1EPHX1SPHK1SPHK2TDP1
SCHEMBL10976172 0.75 ALDH1A1 (0.72) ALDH1A1EPHX1SPHK1SPHK2TDP1
SCHEMBL11083593 0.75 ALDH1A1 (0.72) ALDH1A1EPHX1SPHK1SPHK2TDP1

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-5841504-A Distorted helix ferroelectric liquid crystal cell ROLIC AG (CH) 1998-11-24 US disclosed