SCHEMBL11048795

SCHEMBL11048795

O=[N+]([O-])c1ccc(OCC(O)CO)cc1NCCO

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 3/20 0.45
MAPT P10636 10/20 0.44
LMNA P02545 1/20 0.44
SIRT5 Q9NXA8 1/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALPG P10696 1/20 0.42
PKM P14618 1/20 0.41
CDK4 P11802 1/20 0.40
CDK2 P24941 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL109574 0.90 ALDH1A1 (0.51) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL29392841 0.90 ALDH1A1 (0.51) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL11045778 0.89 GLA (0.42) TSHRMAPTLMNASIRT5ALDH1A1
SCHEMBL11044515 0.89 SIRT5 (0.52) TDP1TSHRMAPTLMNASIRT5
SCHEMBL11046423 0.86 MAPT (0.52) TSHRMAPTLMNASIRT5ALDH1A1
SCHEMBL128166 0.85 TSHR (0.45) TSHRMAPTLMNAALDH1A1GAA
SCHEMBL9269272 0.82 TSHR (0.48) TSHRMAPTLMNAALDH1A1GAA
SCHEMBL2840702 0.80 TDP1 (0.52) TDP1TSHRMAPTLMNASIRT5
SCHEMBL8948327 0.80 ALDH1A1 (0.53) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL10580319 0.79 MAPT (0.58) TDP1TSHRMAPTLMNASIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4432769-A MADE BY REACTING 3-AMINO-4-NITRO-CHLOROBENZENE WITH GLYCEROL L'OREAL (FR) 1984-02-21 US claimed
US-4432769-A MADE BY REACTING 3-AMINO-4-NITRO-CHLOROBENZENE WITH GLYCEROL L'OREAL (FR) 1984-02-21 US disclosed