SCHEMBL6249208

SCHEMBL6249208

Nc1ccc(-c2ccc3c(c2)OCO3)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
ALOX15 P16050 2/20 0.61
HSD17B10 Q99714 2/20 0.61
ALOX5 P09917 1/20 0.56
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
SRC P12931 1/20 0.50
KIF11 P52732 1/20 0.50
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
USP2 O75604 1/20 0.48
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
PTPRC P08575 1/20 0.44
CHEK2 O96017 1/20 0.44
GAPDH P04406 1/20 0.43

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
SCHEMBL5952330 0.83 KMT2A (0.56) CYP3A4ALOX15HSD17B10CA12CA2
SCHEMBL18270880 0.79 CHEK2 (0.61) CYP3A4ALOX5CA12CA2CA9
SCHEMBL3903052 0.79 CA12 (0.50) ALOX15HSD17B10CA12CA2CA9
SCHEMBL29365557 0.78 CYP3A4 (1.00) CYP3A4ALOX15HSD17B10ALOX5MAPT
SCHEMBL105866 0.78 CYP3A4 (1.00) CYP3A4ALOX15HSD17B10ALOX5MAPT
SCHEMBL23924225 0.78 CYP3A4 (1.00) CYP3A4ALOX15HSD17B10ALOX5MAPT
SCHEMBL29549758 0.78 CYP3A4 (1.00) CYP3A4ALOX15HSD17B10ALOX5MAPT
SCHEMBL5377159 0.77 CYP3A4 (0.69) CYP3A4ALOX5CA12CA2CA9
SCHEMBL3901839 0.77 CA12 (0.61) CYP3A4ALOX15HSD17B10CA12CA2
SCHEMBL2934537 0.77 GAPDH (0.49) CYP3A4ALOX15HSD17B10ALOX5CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562539-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES Wella Aktiengesellschaft (DE) 2005-08-17 EP claimed
WO-2004041226-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2004-05-21 WO claimed
EP-1562539-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES Wella Aktiengesellschaft (DE) 2005-08-17 EP disclosed
WO-2004041226-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2004-05-21 WO disclosed