SCHEMBL9296378

SCHEMBL9296378

CCOC(=O)CC(=O)C=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 6/20 0.56
MEN1 O00255 5/20 0.56
LMNA P02545 4/20 0.56
MAPK1 P28482 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PTGS2 P35354 2/20 0.54
MAOA P21397 2/20 0.53
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 4/20 0.50
PKM P14618 1/20 0.50
GLA P06280 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.49
BCHE P06276 1/20 0.49

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
SCHEMBL10348526 1.00 MAOB (0.56) MAOBKMT2AMAPTMEN1LMNA
SCHEMBL11547347 0.91 MEN1 (0.60) MAOBKMT2AMAPTMEN1LMNA
SCHEMBL11155039 0.90 MAOB (0.55) MAOBKMT2AMAPTMEN1LMNA
SCHEMBL11155480 0.90 MAOB (0.55) MAOBKMT2AMAPTMEN1LMNA
SCHEMBL11801921 0.89 PTGS2 (0.63) MAOBKMT2AMAPTMEN1LMNA
SCHEMBL10544117 0.89 PTGS2 (0.63) MAOBKMT2AMAPTMEN1LMNA
SCHEMBL11548191 0.86 MEN1 (0.55) MAOBKMT2AMAPTMEN1LMNA
SCHEMBL10666472 0.84 SMN1; SMN2 (0.62) MAOBKMT2AMAPTMEN1LMNA
SCHEMBL6985307 0.84 SMN1; SMN2 (0.62) MAOBKMT2AMAPTMEN1LMNA
SCHEMBL6985305 0.84 SMN1; SMN2 (0.62) MAOBKMT2AMAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993009774-A1 2-(4-SUBSTITUTED)PHENYLMETHYLENE DERIVATIVES AND METHODS OF USE G.D. SEARLE & CO. (US) 1993-05-27 WO claimed
EP-0239105-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING 5-PHENYL-1,3-DIOXOALKENYL COMPOUNDS G.D. Searle & Co. (US) 1990-05-23 EP claimed
EP-0239105-A2 Pharmaceutical compositions containing 5-phenyl-1,3-dioxoalkenyl compounds G.D. Searle & Co. (US) 1987-09-30 EP claimed
US-5280047-A Inhibiting 5-lipoxygenase in mammals G. D. SEARLE & CO. (US) 1994-01-18 US disclosed
WO-1993009774-A1 2-(4-SUBSTITUTED)PHENYLMETHYLENE DERIVATIVES AND METHODS OF USE G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed
EP-0239105-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING 5-PHENYL-1,3-DIOXOALKENYL COMPOUNDS G.D. Searle & Co. (US) 1990-05-23 EP disclosed
US-4761503-A LEUKOTRIENE BIOSYNTHESIS INHIBITORS CONDENSATION OF BENZALDEHYDE WITH ACETOACETATE COMPOUND G. D. SEARLE & CO. (US) 1988-08-02 US disclosed
EP-0239105-A2 Pharmaceutical compositions containing 5-phenyl-1,3-dioxoalkenyl compounds G.D. Searle & Co. (US) 1987-09-30 EP disclosed
US-4649157-A ANTIALLERGENS, ANTIINFLAMMATORY G. D. SEARLE & CO. (US) 1987-03-10 US disclosed
US-3932645-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS FARBENFABRIKEN BAYER AG (DT) 1976-01-13 US disclosed