SCHEMBL8631343

SCHEMBL8631343

Cc1ccc(CN(Cc2ccc(C)o2)C(C)O)o1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.54
POLB P06746 1/20 0.50
CHRM2 P08172 2/20 0.42
MEN1 O00255 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRM3 P20309 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.41
AR P10275 6/20 0.40
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PKM P14618 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL11075230 0.74 CHRM2 (0.47) ALOX5POLBCHRM2MEN1CHRM4
SCHEMBL9071084 0.74 CHRM2 (0.47) ALOX5POLBCHRM2MEN1CHRM4
SCHEMBL82414 0.73 POLB (0.59) ALOX5POLBCHRM2MEN1CHRM4
SCHEMBL13453301 0.73 POLB (0.59) ALOX5POLBCHRM2MEN1CHRM4
SCHEMBL11457824 0.71 MAPT (0.46) ALOX5POLBCHRM2MEN1CHRM4
SCHEMBL8809759 0.70 ALOX5 (1.00) ALOX5POLBTHRBPKM
SCHEMBL8633227 0.69 POLB (0.71) ALOX5POLBCHRM2MEN1CHRM4
SCHEMBL6323573 0.69 ALOX5 (0.54) ALOX5POLBCHRM2MEN1CHRM4
SCHEMBL8631339 0.69 POLB (0.70) ALOX5POLBCHRM2MEN1CHRM4
SCHEMBL104309 0.69 CHRM2 (0.50) ALOX5POLBCHRM2MEN1CHRM4

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-5709816-A N,N-DISUBSTITUTED ANILINE COMPOUNDS KAO CORPORATION (JP) 1998-01-20 US disclosed