SCHEMBL8913451

SCHEMBL8913451

Cc1cc(O)c2c(C=O)c(C)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.43
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
SELE P16581 1/20 0.34
ACHE P22303 1/20 0.34
CYP3A4 P08684 2/20 0.33
DAO P14920 2/20 0.33
DDO Q99489 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL29955981 0.82 MAPT (0.49) ERN1MAPTKDM4EPOLBSMN1; SMN2
SCHEMBL933390 0.76 HTR2A (0.51) ERN1MAPTKDM4EPOLBDAO
SCHEMBL3185655 0.72 ERN1 (0.52) ERN1MAPTKDM4EPOLBSELL
SCHEMBL29955688 0.68 MITF (0.51) MAPTSMN1; SMN2MITFUSP2
SCHEMBL2926466 0.67 CYP3A4 (0.48) ERN1MAPTKDM4ESELLSELP
SCHEMBL6024686 0.67 ERN1 (0.51) ERN1MAPTKDM4ESMN1; SMN2CYP3A4
SCHEMBL11419937 0.66 CYP3A4 (0.47) ERN1MAPTKDM4ESELLSELP
SCHEMBL29951087 0.66 GAA (0.54) ERN1KDM4EPOLBACHECYP3A4
Hemigossypol SCHEMBL29842702 0.65 MCL1 (0.65) ERN1MAPTKDM4EPOLBSMN1; SMN2
Hemigossypol SCHEMBL27333096 0.65 MCL1 (0.65) ERN1MAPTKDM4EPOLBSMN1; SMN2

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
US-5609649-A Tinctorial composition for keratinous fibers containing oxidation dye precursors and couplers derived from 4-hydroxyindole, and dyeing method using them L'OREAL (FR) 1997-03-11 US claimed
EP-0428441-B1 Keratinic fibre dyeing compostions containing oxydation dye precursors and derivatives of 4-hydroxyindole as couplers, and dyeing process using same OREAL (FR) 1994-08-24 EP claimed
EP-0428441-A2 Keratinic fibre dyeing compostions containing oxydation dye precursors and derivatives of 4-hydroxyindole as couplers, and dyeing process using same L'OREAL (FR) 1991-05-22 EP claimed
US-5609649-A Tinctorial composition for keratinous fibers containing oxidation dye precursors and couplers derived from 4-hydroxyindole, and dyeing method using them L'OREAL (FR) 1997-03-11 US disclosed
EP-0428441-B1 Keratinic fibre dyeing compostions containing oxydation dye precursors and derivatives of 4-hydroxyindole as couplers, and dyeing process using same OREAL (FR) 1994-08-24 EP disclosed
EP-0428441-A2 Keratinic fibre dyeing compostions containing oxydation dye precursors and derivatives of 4-hydroxyindole as couplers, and dyeing process using same L'OREAL (FR) 1991-05-22 EP disclosed