SCHEMBL4799612

SCHEMBL4799612

Cc1cc(-c2cc(NCc3ccco3)ccc2C)c(NC(C)C)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MAPT P10636 6/20 0.51
KDM4E B2RXH2 5/20 0.51
GAA P10253 5/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SHMT2 P34897 1/20 0.39
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL453878 0.79 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL11792458 0.65 SMN1; SMN2 (0.59) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL10873813 0.64 GAA (0.52) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL12235874 0.64 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL5047643 0.62 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL10408359 0.62 KMT2A (0.56) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL29286764 0.61 MAPT (0.55) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL13605317 0.61 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL4343424 0.61 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL24246437 0.61 MAPK1 (0.48) ALDH1A1MAPTKDM4EGAATDP1

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-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed