SCHEMBL5713631

SCHEMBL5713631

Cc1ccc(NCc2ccccc2O)cc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.82
HPGD P15428 1/20 0.67
MAOB P27338 3/20 0.58
ALB P02768 1/20 0.58
NOX4 Q9NPH5 2/20 0.57
EGFR P00533 1/20 0.57
MEN1 O00255 2/20 0.57
HTT P42858 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
RAB9A P51151 3/20 0.56
GAA P10253 2/20 0.56
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CA12 O43570 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CA1 P00915 1/20 0.53

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
SCHEMBL7155775 0.86 MAPT (0.61) MAPTHPGDMAOBALBNOX4
SCHEMBL5713564 0.86 MAPT (0.61) MAPTHPGDMAOBALBNOX4
SCHEMBL883964 0.86 MAPT (0.75) MAPTHPGDMAOBALBNOX4
SCHEMBL27500978 0.86 MAPT (0.61) MAPTHPGDMAOBALBNOX4
SCHEMBL5713573 0.83 TUBB4A (0.61) MAPTHPGDNOX4EGFRMEN1
SCHEMBL11593766 0.82 MAPT (0.81) MAPTHPGDNOX4EGFRMEN1
SCHEMBL5713517 0.81 TUBB4A (0.58) MAPTHPGDMAOBMEN1HTT
SCHEMBL30301294 0.81 MAPT (1.00) MAPTHPGDMAOBNOX4EGFR
SCHEMBL802037 0.81 MAPT (1.00) MAPTHPGDMAOBNOX4EGFR
SCHEMBL5713679 0.80 MAPT (0.55) MAPTHPGDMAOBALBMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1251822-A4 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P & G CLAIROL INC (US) 2006-05-31 EP disclosed
CN-1196464-C Novel couplers for oxidative hair dyeing P & G CLAROR INC (US) 2005-04-13 CN disclosed
US-6540793-B1 Coupler for use in oxidative hair dyeing CLAIROL INCORPORATED 2003-04-01 US disclosed
CN-1396819-A Novel couplers for oxidative hair dyeing P & G CLAROR INC (US) 2003-02-12 CN disclosed
EP-1251822-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING Clairol Incorporated (US) 2002-10-30 EP disclosed
WO-2001056538-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2001-08-09 WO disclosed