SCHEMBL11270443

SCHEMBL11270443

CC(=O)Nc1ccc(OCCO)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
ALDH1A1 P00352 5/20 0.52
MAPT P10636 7/20 0.50
POLB P06746 3/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH3A1 P30838 1/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
RORC P51449 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL11415053 0.93 HTT (0.59) HTTALDH1A1MAPTPOLBMEN1
SCHEMBL11407994 0.92 HTT (0.58) HTTALDH1A1MAPTPOLBMEN1
SCHEMBL11418211 0.88 HTT (0.59) HTTALDH1A1MAPTPOLBMEN1
SCHEMBL9384510 0.87 HTT (0.53) HTTALDH1A1MAPTPOLBMEN1
SCHEMBL11316740 0.86 POLB (0.62) HTTALDH1A1MAPTPOLBMEN1
SCHEMBL11420458 0.86 HTT (0.52) HTTALDH1A1MAPTPOLBMEN1
SCHEMBL3863330 0.84 ALDH1A1 (0.50) HTTALDH1A1MAPTPOLBRORC
SCHEMBL12845175 0.84 ALDH1A1 (0.52) HTTALDH1A1MAPTPOLBMEN1
SCHEMBL29255944 0.83 HTT (0.64) HTTALDH1A1MAPTPOLBMEN1
SCHEMBL30675591 0.82 ALDH1A1 (0.70) HTTALDH1A1MAPTPOLBMEN1

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-4329504-A COUPLERS FOR DYES, HAIR DYES SOCIETE ANONYME DITE: L'OREAL (FR) 1982-05-11 US disclosed
US-4259261-A OXIDATION COLOR DYES FOR HAIR L'OREAL (FR) 1981-03-31 US disclosed