SCHEMBL7315343

SCHEMBL7315343

CCOC(=O)CCCCCCc1cccc([N+](=O)[O-])c1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.53
CYP4A11 Q02928 2/20 0.53
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
TBXAS1 P24557 1/20 0.42
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7310125 0.87 ALDH1A1 (0.47) CYP4F2CYP4A11ALDH1A1TDP1MAPT
SCHEMBL7318441 0.85 ALDH1A1 (0.48) CYP4F2CYP4A11ALDH1A1TDP1MAPT
SCHEMBL7318619 0.84 L3MBTL1 (0.54) ALDH1A1TDP1MAPTKDM4EMAPK1
SCHEMBL7317165 0.83 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1TDP1MAPT
SCHEMBL7315226 0.83 L3MBTL1 (0.52) ALDH1A1TDP1MAPTKDM4EMAPK1
SCHEMBL7310321 0.83 F13A1 (0.43) TDP1MAPTKMT2ABCHEACHE
SCHEMBL4656878 0.82 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1TDP1MAPT
SCHEMBL7312320 0.82 ALDH1A1 (0.44) CYP4F2CYP4A11ALDH1A1TDP1MAPT
Hydrochloric Acid SCHEMBL7313325 0.82 F13A1 (0.42) TDP1MAPTKMT2ABCHEACHE
SCHEMBL7313318 0.82 ERN1 (0.39) ALDH1A1MAPTKDM4EKMT2ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0116948-B1 (2-OXO-1,2,3,5-TETRAHYDROIMIDAZO-(2,1-B)QUINAZOLINYL)-OXYALKYL-AMIDES SYNTEX (U.S.A.) INC. (US) 1990-01-03 EP disclosed
US-4690925-A ANTITHROMBOTIC ACTIVITY, CARDIOTONIC AGENTS SYNTEX (U.S.A.) INC. (US) 1987-09-01 US disclosed
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed
US-4663320-A ANTITUMOR AGENTS, ANTICOAGULANTS SYNTEX (U.S.A.) INC. (US) 1987-05-05 US disclosed
US-4551459-A Method of treating heart failure using (2-oxo-1,2,3,5-tetrahydroimidazo-[2,1-b]quinazolinyl)oxyalkylamides SYNTEX (U.S.A.) INC. (US) 1985-11-05 US disclosed
EP-0153152-A2 (2-Oxo-1,2,3,5-tetrahydroimidazo-/2,1-b/quinnazolinyl)-oxyalkylamides, their preparation, compositions containing them and their use in making medicaments SYNTEX (U.S.A.) INC. (US) 1985-08-28 EP disclosed
US-4490371-A ANTICOAGULANTS, PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1984-12-25 US disclosed
EP-0116948-A2 (2-Oxo-1,2,3,5-tetrahydroimidazo-(2,1-b)quinazolinyl)-oxyalkyl-amides SYNTEX (U.S.A.) INC. (US) 1984-08-29 EP disclosed