SCHEMBL9315401

SCHEMBL9315401

COc1ccc2[nH]c(C)cc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
HPGD P15428 2/20 0.46
IDO1 P14902 1/20 0.45
MAPT P10636 8/20 0.45
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
APOBEC3A P31941 2/20 0.45
APOBEC3G Q9HC16 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
AXL P30530 1/20 0.43
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 2/20 0.41
ALOX5 P09917 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL16065331 0.81 ALDH1A1 (0.49) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL6226010 0.81 ALDH1A1 (0.50) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL9959635 0.80 ALDH1A1 (0.47) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL296452 0.79 KDR (0.53) ALDH1A1HPGDAXLKDR
SCHEMBL16818973 0.79 ALDH1A1 (0.46) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL9314516 0.77 KDM4E (0.60) ALDH1A1HPGDIDO1MAPTMEN1
SCHEMBL6599588 0.76 IDO1 (0.55) ALDH1A1HPGDIDO1MAPTMEN1
SCHEMBL15704593 0.75 ALDH1A1 (0.43) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL29445933 0.74 MEN1 (0.54) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL317551 0.74 MEN1 (0.54) ALDH1A1HPGDMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354870-A Hair dyes L'OREAL (FR) 1994-10-11 US disclosed
US-5131911-A Hair dyes L'OREAL (FR) 1992-07-21 US 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