SCHEMBL9647299

SCHEMBL9647299

C/C=C\COCC1CCC(C2CCC(COCCCC)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9647291 1.00 SMN1; SMN2 (0.40) SMN1; SMN2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9647438 0.92 HTR2A (0.37) SMN1; SMN2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9647429 0.92 HTR2A (0.37) SMN1; SMN2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL10447616 0.89 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1TDP1
SCHEMBL9647714 0.89 CYP1A2 (0.39) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9647722 0.89 CYP1A2 (0.39) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9648177 0.88 SIGMAR1 (0.42) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9648166 0.88 SIGMAR1 (0.42) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9647418 0.88 HTR2A (0.35) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9647430 0.88 HTR2A (0.35) HTR2AHTR2CHTR2BSIGMAR1

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