SCHEMBL9524366

SCHEMBL9524366

O=[N+]([O-])c1ccc(O)c(COCc2cc([N+](=O)[O-])ccc2O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.53
THRB P10828 1/20 0.53
CTSB P07858 1/20 0.52
APP P05067 1/20 0.52
ERN1 O75460 1/20 0.50
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
NOX4 Q9NPH5 1/20 0.48
HSP90AA1 P07900 1/20 0.47
ALOX15 P16050 1/20 0.47
MEN1 O00255 1/20 0.47
CRHBP P24387 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4229386 0.90 ALDH1A1 (0.49) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL9445071 0.89 TSHR (0.47) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL26343371 0.88 ITGA4 (0.48) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL863466 0.86 GPR35 (0.51) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL19605560 0.86 APP (0.48) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL9445058 0.86 APP (0.45) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL51277 0.83 GPR35 (0.60) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL4232672 0.82 ITGA4 (0.49) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL216753 0.81 GPR35 (0.58) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL4231830 0.81 ALDH1A1 (0.58) GPR35ALDH1A1TSHRTP53HPGD

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
EP-0395837-B1 OXIDATION HAIR DYES BASED ON 4-AMINOPHENOL DERIVATIVES AS WELL AS NEW 4-AMINOPHENOL DERIVATIVES Wella Aktiengesellschaft (DE) 1993-04-14 EP disclosed
US-4997451-A Developers WELLA AKTIENGESELLSCHAFT (DE) 1991-03-05 US disclosed
EP-0395837-A1 Oxidation hair dyes based on 4-aminophenol derivatives as well as new 4-aminophenol derivatives Wella Aktiengesellschaft (DE) 1990-11-07 EP disclosed