SCHEMBL9364440

SCHEMBL9364440

NCC(=O)CNc1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.45
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
MAPK1 P28482 3/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
BLM P54132 3/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP1A1 P04798 2/20 0.41
MPO P05164 1/20 0.41
KDM5A P29375 1/20 0.41
GFER P55789 1/20 0.41
PMP22 Q01453 1/20 0.41
CA12 O43570 1/20 0.41
BRD4 O60885 1/20 0.41
NR1I2 O75469 1/20 0.41

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
SCHEMBL21747434 0.80 ALDH1A1 (0.50) PEPDALDH1A1GAAMAPK1CA1
SCHEMBL10031657 0.80 ALDH1A1 (0.47) PEPDALDH1A1GAAMAPK1CA1
SCHEMBL3659518 0.79 PEPD (0.54) PEPDALDH1A1GAAMAPK1CA1
SCHEMBL9645505 0.78 CA1 (0.54) ALDH1A1GAACA1CA2MEN1
SCHEMBL22354 0.77 CYP1A1 (0.52) PEPDALDH1A1GAAMAPK1CA1
Hydrochloric Acid SCHEMBL11326485 0.77 CYP1A1 (0.52) PEPDALDH1A1GAAMAPK1CA1
Hydrochloric Acid SCHEMBL4820901 0.77 CYP1A1 (0.52) PEPDALDH1A1GAAMAPK1CA1
SCHEMBL9745182 0.77 CYP1A1 (0.52) PEPDALDH1A1GAAMAPK1CA1
SCHEMBL9745051 0.77 CYP1A1 (0.52) PEPDALDH1A1GAAMAPK1CA1
SCHEMBL9743702 0.77 CYP1A1 (0.52) PEPDALDH1A1GAAMAPK1CA1

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-0345728-B1 Dye composition for keratinous fiber KAO CORP (JP) 1994-09-14 EP claimed
US-5047066-A Dye composition for keratinous fibers containing a 2-substituted 4-aminophenol compound as a developer, and a coupling substance KAO CORPORATION (JP) 1991-09-10 US claimed
EP-0345728-A2 Dye composition for keratinous fiber Kao Corporation (JP) 1989-12-13 EP claimed
EP-0345728-B1 Dye composition for keratinous fiber KAO CORP (JP) 1994-09-14 EP disclosed
US-5047066-A Dye composition for keratinous fibers containing a 2-substituted 4-aminophenol compound as a developer, and a coupling substance KAO CORPORATION (JP) 1991-09-10 US disclosed
EP-0345728-A2 Dye composition for keratinous fiber Kao Corporation (JP) 1989-12-13 EP disclosed