SCHEMBL7310285

SCHEMBL7310285

CCOC(=O)CCCCCCc1cc(C)cc(C=O)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.37
TNF P01375 2/20 0.36
CYP4Z1 Q86W10 1/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL7317854 0.86 F13A1 (0.43) TDP1MAPTKMT2A
Hydrochloric Acid SCHEMBL7318028 0.85 F13A1 (0.42) TDP1MAPTKMT2A
SCHEMBL7318019 0.85 ERN1 (0.33) ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL7317165 0.84 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1TDP1CYP3A4
SCHEMBL7315249 0.83 TNF (0.39) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL7311993 0.81 SMN1; SMN2 (0.41) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL7306070 0.80 CYP4Z1 (0.39) CYP4F2CYP4A11ALDH1A1TDP1CYP3A4
SCHEMBL7307738 0.76 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1TDP1CYP3A4
SCHEMBL7319384 0.76 MAPT (0.40) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL7306711 0.76 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1TDP1CYP3A4

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