SCHEMBL858459

SCHEMBL858459

CCCCCCCCCCCCC[CH]CC1CCO1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.57
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5382779 1.00 EPHX1 (0.57) EPHX1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL5531293 1.00 EPHX1 (0.57) EPHX1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL9017069 0.84 ALDH1A1 (0.54) EPHX1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL16774607 0.84 ALDH1A1 (0.54) EPHX1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL9017115 0.84 ALDH1A1 (0.54) EPHX1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL501328 0.84 ALDH1A1 (0.54) EPHX1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL11880663 0.83 EPHX1 (0.41) EPHX1SMN1; SMN2
SCHEMBL3854176 0.83 EPHX1 (0.66) EPHX1ALDH1A1TDP1TSHR
SCHEMBL9263734 0.83 EPHX1 (0.71) EPHX1ALDH1A1TDP1TSHR
SCHEMBL5609735 0.83 EPHX1 (0.78) EPHX1ALDH1A1TDP1TSHR

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-8142767-B2 Cosmetic hair composition MOMENTIVE PERFORMANCE MATERIALS JAPAN LLC (JP) 2012-03-27 US disclosed