SCHEMBL9645385

SCHEMBL9645385

CCCOCC1CCC(CCC2CCC(COCCC)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.34
SPHK2 Q9NRA0 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9645375 1.00 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1CYP1A2SPHK2
SCHEMBL9645379 1.00 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1CYP1A2SPHK2
SCHEMBL9646561 0.96 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1CYP1A2
SCHEMBL9406757 0.96 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1CYP1A2
SCHEMBL9406753 0.96 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1CYP1A2
SCHEMBL9647278 0.94 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TDP1CYP1A2
SCHEMBL9647528 0.94 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TDP1CYP1A2
SCHEMBL9406506 0.94 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TDP1CYP1A2
SCHEMBL9406515 0.94 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TDP1CYP1A2
SCHEMBL9647518 0.94 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TDP1CYP1A2

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-5102578-A Electrooptics HOFFMANN-LA ROCHE INC. (US) 1992-04-07 US disclosed