SCHEMBL6152516

SCHEMBL6152516

Nc1cc(O)ccc1CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 6/20 0.46
HTR2C P28335 1/20 0.46
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ALOX5 P09917 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2314917 0.88 TYR (0.44) TYRHTR2CCA2CA12CA1
SCHEMBL5898768 0.83 HTR2C (0.46) TYRHTR2CCA2CA12CA1
SCHEMBL1374441 0.82 CA14 (0.48) TYRCA2CA12CA1CA7
SCHEMBL5734129 0.81 TYR (0.45) TYRCA2CA12CA1CA7
SCHEMBL5732593 0.81 CA12 (0.48) TYRCA2CA12CA1CA7
SCHEMBL5372070 0.81 TYR (0.50) TYRCA2CA12CA1CA7
SCHEMBL213571 0.80 CASP1 (0.39) CA2CA1MAPTMEN1TP53
SCHEMBL29835039 0.80 CASP1 (0.39) CA2CA1MAPTMEN1TP53
SCHEMBL27903131 0.79 TYR (0.52) TYRHTR2CCA2ALOX5MAPT
Hydrochloric Acid SCHEMBL8667223 0.78 CASP1 (0.38) MAPTMEN1TP53CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309540-B1 OXIDIZING COLORANT HENKEL KGAA (DE) 2005-11-02 EP claimed
EP-1309540-A1 OXIDIZING COLORANT Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-14 EP claimed
WO-2002010118-A1 OXIDIZING COLORANT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO claimed
EP-1309540-B1 OXIDIZING COLORANT HENKEL KGAA (DE) 2005-11-02 EP disclosed
EP-1309540-A1 OXIDIZING COLORANT Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-14 EP disclosed
WO-2002010118-A1 OXIDIZING COLORANT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO disclosed
EP-0331144-B1 3-SUBSTITUTED PARA-AMINO PHENOLS, PROCESS FOR THEIR PREPARATION, THEIR USE IN DYEING KERATENIC FIBRES AND INTERMEDIATES USED IN THE PREPARATION PROCESS L'OREAL (FR) 1993-06-09 EP disclosed
EP-0331144-A2 3-Substituted para-amino phenols, process for their preparation, their use in dyeing keratenic fibres and intermediates used in the preparation process L'OREAL (FR) 1989-09-06 EP disclosed