SCHEMBL10874841

SCHEMBL10874841

Nc1cccc(Oc2ccccc2CCO)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
HRH1 P35367 1/20 0.50
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RIPK1 Q13546 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP3A4 P08684 3/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
CYP2D6 P10635 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.37
SLC1A5 Q15758 2/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 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
SCHEMBL8431833 0.84 MAOB (0.51) MAOBHRH1MAPTPOLBHSP90AA1
SCHEMBL1683910 0.84 HRH1 (0.58) MAOBHRH1MAPTPOLBHSP90AA1
SCHEMBL1067253 0.81 HRH1 (0.67) HRH1RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL3969143 0.80 HRH1 (0.53) HRH1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL29929290 0.79 MAOB (0.72) MAOBMAPTPOLBHSP90AA1CYP3A4
SCHEMBL707810 0.79 MAOB (0.72) MAOBMAPTPOLBHSP90AA1CYP3A4
SCHEMBL2208004 0.79 HRH1 (0.51) HRH1
SCHEMBL1683982 0.78 MAOB (0.56) MAOBHRH1MAPTPOLBHSP90AA1
SCHEMBL6293193 0.77 MAOB (0.69) MAOBMAPTPOLBHSP90AA1CYP3A4
SCHEMBL6290448 0.77 MAOB (0.69) MAOBMAPTPOLBHSP90AA1CYP3A4

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
EP-0194377-A2 Disazo orange dyes for nylon CROMPTON & KNOWLES CORPORATION (US) 1986-09-17 EP disclosed