SCHEMBL11045778

SCHEMBL11045778

O=[N+]([O-])c1ccc(OCC(O)CO)cc1NCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
MAPT P10636 7/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDK4 P11802 1/20 0.40
CDK2 P24941 1/20 0.40
GAA P10253 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 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
SCHEMBL11046423 0.92 MAPT (0.52) MAPTLMNAMAPK1TSHRL3MBTL1
SCHEMBL11048795 0.89 TDP1 (0.45) MAPTLMNAMAPK1TSHRCDK4
SCHEMBL9499752 0.86 SMN1; SMN2 (0.52) MAPTLMNAMAPK1GAAKMT2A
SCHEMBL128166 0.86 TSHR (0.45) MAPTLMNAMAPK1TSHRL3MBTL1
SCHEMBL11044515 0.85 SIRT5 (0.52) MAPTLMNAMAPK1TSHRL3MBTL1
SCHEMBL9269272 0.83 TSHR (0.48) MAPTLMNAMAPK1TSHRL3MBTL1
SCHEMBL5455930 0.79 SMN1; SMN2 (0.54) MAPTLMNAMAPK1TSHRL3MBTL1
SCHEMBL11052562 0.79 MAPT (0.61) MAPTLMNAMAPK1TSHRL3MBTL1
SCHEMBL11048215 0.79 MAPT (0.52) GLAMAPTLMNAMAPK1TSHR
SCHEMBL10485638 0.79 ATM (0.45) GLAMAPTMAPK1HTTALDH1A1

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