SCHEMBL5817865

SCHEMBL5817865

O=C(c1ccccc1)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
GAA P10253 2/20 0.62
POLB P06746 1/20 0.62
SRD5A2 P31213 2/20 0.61
ALOX5 P09917 1/20 0.60
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
PPARA Q07869 1/20 0.57
MAPT P10636 5/20 0.57
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
DRD3 P35462 1/20 0.57
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LSS P48449 1/20 0.55

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
SCHEMBL38644 0.87 SRD5A2 (0.60) MAPK1GAAPOLBSRD5A2PPARA
SCHEMBL5286113 0.85 DRD2 (0.73) GAAMAPTLMNADRD2DRD4
SCHEMBL6321328 0.85 GAA (0.82) MAPK1GAASRD5A2PPARAMAPT
Benzophenone SCHEMBL28231509 0.85 POLB (0.82) MAPK1GAAPOLBSRD5A2ALOX5
SCHEMBL229627 0.85 POLB (0.82) MAPK1GAAPOLBSRD5A2ALOX5
SCHEMBL10737114 0.84 LSS (0.57) GAASRD5A2MAPTLMNAL3MBTL1
Phosphine SCHEMBL28037976 0.84 POLB (0.79) MAPK1GAAPOLBSRD5A2ALOX5
Methane SCHEMBL29286698 0.84 POLB (0.79) MAPK1GAAPOLBSRD5A2ALOX5
SCHEMBL27787062 0.84 POLB (0.79) MAPK1GAAPOLBSRD5A2ALOX5
Hydrochloric Acid SCHEMBL28168308 0.84 POLB (0.79) MAPK1GAAPOLBSRD5A2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006108204-A1 PHOTOPOLYMERISABLE MIXTURES COMPRISING PHOTOINITIATORS BASED ON BENZOPHENONE AND PHENYLGLYCINE TECHNISCHE UNIVERSITÄT WIEN (AT) 2006-10-19 WO disclosed