SCHEMBL9647829

SCHEMBL9647829

C/C=C\CCC[C@H]1CC[C@H](C2CCC(COCCC)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 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
SCHEMBL9647669 0.91
SCHEMBL19339362 0.91
SCHEMBL9648518 0.88 SMN1; SMN2 (0.30) SMN1; SMN2CYP1A2
SCHEMBL9647309 0.88
SCHEMBL9645382 0.85 HTR2A (0.36)
SCHEMBL9647097 0.84 TSHR (0.34) SMN1; SMN2CYP1A2
SCHEMBL9647083 0.84 TSHR (0.34) SMN1; SMN2CYP1A2
SCHEMBL9647107 0.84 TSHR (0.34) SMN1; SMN2CYP1A2
SCHEMBL9255366 0.82 CYP1A2 (0.30) CYP1A2
SCHEMBL9647438 0.81 HTR2A (0.37) SMN1; SMN2

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