SCHEMBL6252152

SCHEMBL6252152

Nc1ccc(O)c(OCC(O)COc2cc(N)ccc2O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRKCI P41743 1/20 0.38
NFKB1 P19838 1/20 0.38
ALOX5 P09917 1/20 0.38
ADRB2 P07550 2/20 0.37
ADRB1 P08588 1/20 0.37
ALOX15 P16050 2/20 0.37
MEN1 O00255 1/20 0.37
TNF P01375 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSPD1 P10809 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL130085 0.85 GAA (0.49) ALDH1A1GAAKDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL7594094 0.83 GAA (0.51) ALDH1A1GAAKDM4ELMNACYP1A2
SCHEMBL11151986 0.81 GAA (0.53) ALDH1A1GAAKDM4ELMNACYP1A2
SCHEMBL11069020 0.81 ESR1 (0.42) ALDH1A1KDM4ELMNACYP1A2SMN1; SMN2
SCHEMBL9794565 0.79 CYP1A2 (0.46) ALDH1A1GAAKDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL11155467 0.78 GAA (0.54) ALDH1A1GAAKDM4ELMNACYP1A2
SCHEMBL5162262 0.78 CA1 (0.45) ALDH1A1GAACA1CA2PDE10A
Hydrochloric Acid SCHEMBL9794566 0.78 ALDH1A1 (0.46) ALDH1A1GAAKDM4ELMNACYP1A2
SCHEMBL28288200 0.77 CYP1A2 (0.47) ALDH1A1GAAKDM4ELMNACYP1A2
SCHEMBL10494910 0.77 ALOX15 (0.47) ALDH1A1GAAKDM4ESMN1; SMN2ALOX15

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-1568354-A1 Oxidative dyeing composition Henkel KGaA (DE) 2005-08-31 EP claimed
EP-1568354-A1 Oxidative dyeing composition Henkel KGaA (DE) 2005-08-31 EP disclosed
US-6635241-B1 Applying aminophenol derivative to keratinous fiber as primary intermediate, oxidizing to color fiber HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-10-21 US disclosed
EP-0883598-B1 USE OF AMINOPHENOL DERIVATIVES IN OXIDATIVE HAIR DYES HENKEL KGAA (DE) 2003-08-20 EP disclosed
EP-0883598-A1 AMINOPHENOL DERIVATIVES AND THEIR USE IN OXIDATIVE HAIR DYES Henkel Kommanditgesellschaft auf Aktien (DE) 1998-12-16 EP disclosed
WO-1997031886-A1 AMINOPHENOL DERIVATIVES AND THEIR USE IN OXIDATIVE HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-09-04 WO disclosed