SCHEMBL8530826

SCHEMBL8530826

N#Cc1cccc(C=CC2CCCCC2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.45
HTR6 P50406 1/20 0.44
P4HB P07237 10/20 0.40
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
KMT2A Q03164 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36

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
SCHEMBL487348 0.78 MCL1 (0.44)
SCHEMBL28534847 0.73 MCL1 (0.40)
SCHEMBL17439628 0.73 MCL1 (0.40)
SCHEMBL24358833 0.73 FBP1 (0.47) FBP1P4HBMAOAMAOB
SCHEMBL17439629 0.71 MCL1 (0.38)
SCHEMBL2774364 0.71 FBP1 (0.65) FBP1P4HBMAOAMAOB
SCHEMBL1687910 0.71 FBP1 (0.65) FBP1P4HBMAOAMAOB
SCHEMBL21452585 0.71 DRD2 (0.49) KMT2AMCOLN3
SCHEMBL27219407 0.70 DRD2 (0.48) KMT2AMCOLN3
SCHEMBL14384180 0.68 ALDH1A1 (0.54) FBP1P4HBMAOAMAOB

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-5861421-A 4,4-(disubstituted) cyclohexan-1-one monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-19 US claimed