SCHEMBL10137746

SCHEMBL10137746

CCN1CC(O)CC1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM5 P08912 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
POLB P06746 1/20 0.47
FKBP1A P62942 8/20 0.46
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.41
HTR2C P28335 1/20 0.41
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41

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
SCHEMBL16589450 0.89 ALDH1A1 (0.49) POLBFKBP1AALDH1A1HPGDFABP7
SCHEMBL24066813 0.86 ALDH1A1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13179991 0.85 POLB (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12604640 0.85 POLB (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8923967 0.85 POLB (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21716526 0.84 POLB (0.45) POLBFKBP1AALDH1A1HPGD
SCHEMBL4662072 0.83 MEN1 (0.50) POLBALDH1A1
SCHEMBL5568192 0.83 MEN1 (0.50) POLBALDH1A1
SCHEMBL5568190 0.83 MEN1 (0.50) POLBALDH1A1
SCHEMBL8269795 0.83 MEN1 (0.50) POLBALDH1A1

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-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed