SCHEMBL28019093

SCHEMBL28019093

COC1(C)CCC(C(F)(F)F)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6360972 0.79
SCHEMBL20594351 0.79 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL11329636 0.76 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL11218818 0.76 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL16449045 0.75 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL18966437 0.73
SCHEMBL19454847 0.71 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL19483163 0.71 ESR2 (0.36) ALDH1A1TDP1
SCHEMBL21075245 0.71 ALDH1A1 (0.60) ALDH1A1TDP1
SCHEMBL17428793 0.71 ALDH1A1 (0.33) ALDH1A1TDP1

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
CN-104718188-A N-substituted benzamides and their use in the treatment of pain GENENTECH INC 2015-06-17 CN disclosed