SCHEMBL11044515

SCHEMBL11044515

CCCCNc1cc(OCC(O)CO)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.52
HCAR3 P49019 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 6/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
ALPG P10696 1/20 0.43
LMNA P02545 2/20 0.43
KAT2B Q92831 1/20 0.43
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL11048795 0.89 TDP1 (0.45) SIRT5SMN1; SMN2MAPTPKMTDP1
SCHEMBL11045778 0.85 GLA (0.42) SIRT5SMN1; SMN2MAPTPOLBPKM
SCHEMBL11046423 0.84 MAPT (0.52) SIRT5SMN1; SMN2MAPTPOLBLMNA
SCHEMBL128166 0.83 TSHR (0.45) SMN1; SMN2MAPTPOLBLMNAMAPK1
SCHEMBL10666174 0.81 MAPT (0.46) HCAR3SMN1; SMN2MAPTPOLBPKM
SCHEMBL762553 0.81 SMN1; SMN2 (0.60) SIRT5HCAR3SMN1; SMN2MAPTPOLB
SCHEMBL109574 0.79 ALDH1A1 (0.51) HCAR3SMN1; SMN2MAPTPOLBPKM
SCHEMBL29392841 0.79 ALDH1A1 (0.51) HCAR3SMN1; SMN2MAPTPOLBPKM
SCHEMBL9269272 0.78 TSHR (0.48) SMN1; SMN2MAPTLMNAMAPK1TSHR
SCHEMBL5455930 0.77 SMN1; SMN2 (0.54) SMN1; SMN2MAPTLMNAMAPK1TSHR

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