SCHEMBL9227461

SCHEMBL9227461

COc1ccc(C(OC=O)[N+](=O)[O-])cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP2C19 P33261 3/20 0.45
VCP P55072 1/20 0.44
CYP19A1 P11511 2/20 0.42
PTGS2 P35354 1/20 0.42
TSHR P16473 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
PRKDC P78527 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACHE P22303 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
CYP1A2 P05177 2/20 0.38

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
SCHEMBL7263434 0.79 CYP2C19 (0.49) ALDH1A1CYP2C19VCPTSHRCYP3A4
SCHEMBL25771 0.79 ALDH1A1 (0.45) ALDH1A1CYP2C19VCPCYP19A1PTGS2
SCHEMBL1734014 0.78 CYP2C19 (0.47) ALDH1A1CYP2C19VCPCYP19A1PTGS2
SCHEMBL8505313 0.78 CYP2C19 (0.50) ALDH1A1CYP2C19VCPTSHRMAPT
SCHEMBL10759367 0.76 CYP2C19 (0.50) ALDH1A1CYP2C19VCPCYP19A1PTGS2
Water SCHEMBL7268737 0.74 ALDH1A1 (0.49) ALDH1A1CYP2C19VCPCYP19A1PTGS2
SCHEMBL3042994 0.74 CYP2C19 (0.52) ALDH1A1CYP2C19VCPCYP19A1PTGS2
Bromide SCHEMBL7268772 0.74 CYP2C19 (0.49) ALDH1A1CYP2C19VCPCYP19A1PTGS2
SCHEMBL5373513 0.72 ALDH1A1 (0.47) ALDH1A1CYP2C19VCPCYP19A1PTGS2
SCHEMBL11304731 0.72 ACHE (0.44) ALDH1A1CYP2C19TSHRGAAMAPT

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
US-5451683-A Spatially-addressable immobilization of anti-ligands on surfaces AFFYMAX TECHNOLOGIES N.V. 1995-09-19 US claimed
EP-0502060-A4 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES 1993-05-05 EP claimed
EP-0502060-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1992-09-09 EP claimed
WO-1991007087-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1991-05-30 WO claimed