SCHEMBL5797801

SCHEMBL5797801

CCCCCCCC[C@H]1OCCC[C@@H]1CCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 3/20 0.42
SPHK1 Q9NYA1 7/20 0.40
SPHK2 Q9NRA0 7/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CYP1A2 P05177 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL2712146 0.95 EPHX1 (0.50) EPHX1ALDH1A1SPHK1SPHK2CYP1A2
SCHEMBL6470847 0.95 EPHX1 (0.50) EPHX1ALDH1A1SPHK1SPHK2CYP1A2
SCHEMBL3691 0.95 EPHX1 (0.50) EPHX1ALDH1A1SPHK1SPHK2CYP1A2
SCHEMBL28228462 0.95 EPHX1 (0.50) EPHX1ALDH1A1SPHK1SPHK2CYP1A2
SCHEMBL9057842 0.87 EPHX1 (0.43) EPHX1ALDH1A1SPHK1SPHK2CYP1A2
SCHEMBL11592604 0.87 EPHX1 (0.43) EPHX1ALDH1A1SPHK1SPHK2CYP1A2
SCHEMBL3286073 0.85 EPHX1 (0.42) EPHX1ALDH1A1SPHK1SPHK2CYP1A2
SCHEMBL29459695 0.85 EPHX1 (0.42) EPHX1ALDH1A1SPHK1SPHK2CYP1A2
SCHEMBL11593469 0.84 EPHX1 (0.41) EPHX1ALDH1A1SPHK1SPHK2
SCHEMBL11593470 0.84 EPHX1 (0.41) EPHX1ALDH1A1SPHK1SPHK2

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-2006023966-A2 ASSESSMENT OF CARDIOVASCULAR RISK THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2006-03-02 WO disclosed