SCHEMBL9794575

SCHEMBL9794575

O=[N+]([O-])c1ccc(OCC(O)CO)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.45
▸ GAA P10253 3/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ERN1 O75460 1/20 0.39

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
Hydrochloric Acid SCHEMBL10417398 0.99 GPR35 (0.44) GPR35GAAPTGDR2ALDH1A1TSHR
SCHEMBL11665258 0.86 KMT2A (0.48) GPR35GAAALDH1A1TSHRTP53
SCHEMBL13172174 0.84 S1PR4 (0.49) GAAPTGDR2ALDH1A1CYP1A2KDM4E
Hydrochloric Acid SCHEMBL11360528 0.83 TDP1 (0.52) GAAPTGDR2ALDH1A1TSHRCYP1A2
SCHEMBL30764067 0.79 TSHR (0.59) GPR35GAAPTGDR2ALDH1A1TSHR
SCHEMBL9794582 0.79 TSHR (0.59) GPR35GAAPTGDR2ALDH1A1TSHR
SCHEMBL20589129 0.79 GAA (0.41) GAAPTGDR2ALDH1A1TSHRSMN1; SMN2
SCHEMBL11358987 0.78 SMN1; SMN2 (0.51) GAAALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL11149431 0.78 KMT2A (0.51) GPR35GAAALDH1A1TSHRTP53
SCHEMBL1496537 0.77 GAA (0.68) GAAALDH1A1MAPK1SMN1; SMN2LMNA

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-4985042-A New substituted metaaminophenols, a process for their preparation, hair-dyeing compositions containing them and a hair-dyeing process L'OREAL (FR) 1991-01-15 — — US disclosed
US-4954131-A Substituted metaaminophenols, a process for their preparation, hair-dyeing compositions containing them and a hair-dyeing process L'OREAL (FR) 1990-09-04 — — US disclosed
US-4863480-A OXIDATION COLOR DYES THE FRENCH JOINT STOCK COMPANY "L'OREAL" (FR) 1989-09-05 — — US disclosed
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