SCHEMBL7094847

SCHEMBL7094847

Oc1ccc(O)c(Cl)c1.Oc1ccc(O)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.65
TSHR P16473 2/20 0.62
ESR1 P03372 9/20 0.61
ESR2 Q92731 8/20 0.61
CA2 P00918 3/20 0.56
CA1 P00915 2/20 0.56
TTR P02766 1/20 0.54
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
HPGD P15428 2/20 0.48
CYP3A4 P08684 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL29630269 1.00
SCHEMBL48338 1.00
Hydroquinone SCHEMBL11683909 0.97 HSD17B10 (0.62) HSD17B10TSHRESR1ESR2CA2
Methoxymethane SCHEMBL11131655 0.90 HSD17B10 (0.54) HSD17B10TSHRESR1ESR2CA2
SCHEMBL9227173 0.90 ESR2 (0.64) HSD17B10TSHRESR1ESR2CA2
Catechol SCHEMBL11415145 0.90 ALDH1A1 (0.56) HSD17B10TSHRESR1ESR2CA2
Hydroquinone SCHEMBL7159635 0.88 ALDH1A1 (0.54) HSD17B10TSHRESR1ESR2CA2
Phenol SCHEMBL28786856 0.88 ESR2 (0.57) HSD17B10TSHRESR1ESR2CA2
Acetic Acid SCHEMBL10658832 0.86 CA2 (0.50) HSD17B10TSHRESR1ESR2CA2
SCHEMBL10619808 0.86 TSHR (0.54) HSD17B10TSHRESR1ESR2CA2

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-1267809-A1 HAIR COLOURING AND CONDITIONING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2003-01-02 EP disclosed
US-6432147-B1 Hair coloring compositions THE PROCTER & GAMBLE COMPANY 2002-08-13 US disclosed
WO-2001076545-A1 HAIR COLOURING AND CONDITIONING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-10-18 WO disclosed
US-6004355-A OXIDATIVE HAIR DYES WITH PEROXIDE OXIDIZERS PROCTER & GAMBLE COMPANY (US) 1999-12-21 US disclosed