SCHEMBL27581302

SCHEMBL27581302

COC(=O)C1CCCC2CCC(O)CC21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP3A4 P08684 13/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 1/20 0.33

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
SCHEMBL19250570 0.84 CHRM2 (0.47) CHRM2CHRM4CHRM3CYP3A4
SCHEMBL417319 0.84 CHRM2 (0.47) CHRM2CHRM4CHRM3ALDH1A1KMT2A
SCHEMBL29726716 0.84 CHRM2 (0.47) CHRM2CHRM4CHRM3CYP3A4
SCHEMBL30849529 0.84 CHRM2 (0.47) CHRM2CHRM4CHRM3ALDH1A1KMT2A
SCHEMBL27224503 0.82 CHRM2 (0.39) CHRM2CHRM4CHRM3CYP3A4ALDH1A1
SCHEMBL3000349 0.80 CHRM2 (0.43) CHRM2CHRM4CHRM3
SCHEMBL30945484 0.78 CHRM2 (0.43) CHRM2CHRM4CHRM3CYP3A4ALDH1A1
SCHEMBL15483937 0.78 CHRM2 (0.43) CHRM2CHRM4CHRM3CYP3A4ALDH1A1
SCHEMBL29216831 0.77 CHRM2 (0.43) CHRM2CHRM4CHRM3CYP3A4ALDH1A1
SCHEMBL9550332 0.76 CHRM2 (0.44) CHRM2CHRM4CHRM3CYP3A4ALDH1A1

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
CN-1359373-A 6- [ [ (aryl and heteroaryl) oxy ] methyl ] -naphthyl-2-carboximidamide derivatives, process for their preparation and their use in therapy SANOFI SYNTHELABO (FR) 2002-07-17 CN disclosed