SCHEMBL9363003

SCHEMBL9363003

CCOC(=O)/C(C)=C/c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.52
ERN1 O75460 1/20 0.51
MAPT P10636 6/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
HTT P42858 3/20 0.51
POLB P06746 1/20 0.50
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
LMNA P02545 4/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
HCRTR1 O43613 1/20 0.44
GAA P10253 2/20 0.44
LIG1 P18858 2/20 0.43
LIG3 P49916 1/20 0.43

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
SCHEMBL5523145 0.90 GLO1 (0.52) GLO1ERN1MAPTKMT2AALDH1A1
SCHEMBL5523152 0.90 GLO1 (0.52) GLO1ERN1MAPTKMT2AALDH1A1
SCHEMBL12992273 0.85 GLO1 (0.52) GLO1MAPTKMT2AALDH1A1MEN1
SCHEMBL14384272 0.82 GLO1 (0.50) GLO1MAPTKMT2AALDH1A1MEN1
SCHEMBL9358684 0.81 ERN1 (0.59) ERN1MAPTKMT2AALDH1A1MEN1
SCHEMBL9358680 0.81 ERN1 (0.59) ERN1MAPTKMT2AALDH1A1MEN1
SCHEMBL3034223 0.80 GLO1 (0.54) GLO1MAPTKMT2AALDH1A1MEN1
SCHEMBL3034226 0.80 GLO1 (0.54) GLO1MAPTKMT2AALDH1A1MEN1
SCHEMBL7877613 0.79 GLO1 (0.57) GLO1MAPTKMT2AALDH1A1MEN1
SCHEMBL11097676 0.78 GLO1 (0.77) GLO1MAPTKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489836-B1 LIGHT ACTIVATED ACYL-ENZYMES UNIV DUKE (US) 1994-12-21 EP disclosed
US-5218137-A Chemical light amplifiers DUKE UNIVERSITY (US) 1993-06-08 US disclosed
EP-0489836-A4 LIGHT ACTIVATED ACYL-ENZYMES 1993-05-26 EP disclosed
EP-0489836-A1 LIGHT ACTIVATED ACYL-ENZYMES. UNIV DUKE (US) 1992-06-17 EP disclosed
US-5114851-A Serine- or cysteine-containing protease modified by nucleophilic cinnamic acid; photoisomerization; biological switches; medical diagnosis DUKE UNIVERSITY (US) 1992-05-19 US disclosed
WO-1991003549-A1 LIGHT ACTIVATED ACYL-ENZYMES DUKE UNIVERSITY (US) 1991-03-21 WO disclosed