SCHEMBL6686097

SCHEMBL6686097

C(=C\CCCCCCCC1CCO1)\CCCCCCCCOCCCCCCCC/C=C\CCCCCCCC1CCO1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SPHK2 Q9NRA0 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
ENPP2 Q13822 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
SCHEMBL250637 0.88 EPHX1 (0.61) EPHX1TSHRALDH1A1TDP1SPHK2
SCHEMBL3379496 0.88 EPHX1 (0.61) EPHX1TSHRALDH1A1TDP1SPHK2
SCHEMBL2472388 0.88 EPHX1 (0.61) EPHX1TSHRALDH1A1TDP1SPHK2
SCHEMBL251209 0.88 EPHX1 (0.61) EPHX1TSHRALDH1A1TDP1SPHK2
SCHEMBL3382033 0.88 EPHX1 (0.61) EPHX1TSHRALDH1A1TDP1SPHK2
SCHEMBL3381884 0.86 EPHX1 (0.58) EPHX1TSHRALDH1A1TDP1SPHK2
SCHEMBL3378832 0.80 EPHX1 (0.54) EPHX1TSHRALDH1A1TDP1
SCHEMBL17199779 0.79 EPHX1 (0.50) EPHX1TSHRALDH1A1TDP1SPHK2
SCHEMBL5608421 0.77 EPHX1 (0.59) EPHX1ALDH1A1ENPP2
SCHEMBL1526870 0.77 EPHX1 (0.48) EPHX1TSHRALDH1A1TDP1SPHK2

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
EP-0955035-B1 Method of preventing aged body odor SHISEIDO CO LTD (JP) 2004-09-29 EP disclosed
EP-0955035-A1 Body odor preventing composition SHISEIDO COMPANY LIMITED (JP) 1999-11-10 EP disclosed