SCHEMBL8724463

SCHEMBL8724463

O=[N+]([O-])c1ccc(C=Cc2ccc(N3CC(O)C(O)C3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
PTGS2 P35354 2/20 0.50
PTGS1 P23219 1/20 0.50
MAPT P10636 5/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
APP P05067 1/20 0.49
FBP1 P09467 1/20 0.47
SIRT6 Q8N6T7 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP19A1 P11511 1/20 0.46
POLB P06746 1/20 0.46
ADRB1 P08588 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
USP18 Q9UMW8 1/20 0.44
UCHL5 Q9Y5K5 1/20 0.44

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
SCHEMBL8724462 1.00 CTSL (0.53) CTSLCTSBPTGS2PTGS1MAPT
SCHEMBL6710563 0.91 MAPT (0.58) MAPTSIRT6ALDH1A1POLBADRB1
Hydrochloric Acid SCHEMBL6707092 0.89 MAPT (0.56) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL9501629 0.82 CTSL (0.57) CTSLCTSBMAPTSIRT6ALDH1A1
SCHEMBL9637438 0.82 CTSL (0.57) CTSLCTSBMAPTSIRT6ALDH1A1
SCHEMBL3549925 0.80 MAPT (0.58) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL30135452 0.80 SIRT6 (0.51) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL9651198 0.80 MAPT (0.77) CTSLCTSBPTGS2MAPTNPC1
SCHEMBL9649952 0.78 MAPT (0.81) CTSLCTSBPTGS2MAPTNPC1
SCHEMBL9647832 0.77 MITF (0.70) CTSLCTSBMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868682-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE Akzo Nobel N.V. (NL) 1998-10-07 EP disclosed
US-5776375-A CONTAINING NONLINEAR OPTICALLY ACTIVE POLYMER AKZO NOBEL N.V. (NL) 1998-07-07 US disclosed
WO-1997023807-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE AKZO NOBEL N.V. (NL) 1997-07-03 WO disclosed
EP-0780722-A1 Electro-optical device stable in the 600-1600 nanometer wavelength range Akzo Nobel N.V. (NL) 1997-06-25 EP disclosed