SCHEMBL7310102

SCHEMBL7310102

CCOC(=O)CCCCCCc1ccc(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP4Z1 Q86W10 2/20 0.46
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP4F11 Q9HBI6 1/20 0.41
CYP4F12 Q9HCS2 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
TNF P01375 1/20 0.40
CDK1 P06493 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
LTA4H P09960 1/20 0.38

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
SCHEMBL7311849 0.83 MAPT (0.47) MAPTKDM4EALDH1A1TDP1CYP3A4
SCHEMBL7314360 0.83 CDK1 (0.46) MAPTTDP1KMT2ACDK1PDE3B
SCHEMBL7320700 0.82 CDK1 (0.44) MAPTKDM4EALDH1A1KMT2ACDK1
Hydrochloric Acid SCHEMBL7320704 0.82 CDK1 (0.44) MAPTTDP1KMT2ACDK1PDE3B
SCHEMBL7312411 0.82 MAPT (0.48) MAPTKDM4EALDH1A1TDP1CYP3A4
SCHEMBL7319206 0.82 MAPT (0.43) MAPTKDM4ECYP4Z1ALDH1A1TDP1
SCHEMBL7318598 0.81 MAPT (0.49) MAPTKDM4EALDH1A1TDP1MAPK1
SCHEMBL27675236 0.79 ALDH1A1 (0.43) MAPTKDM4EALDH1A1CDK1CYP3A4
SCHEMBL27593722 0.78 MAPT (0.51) MAPTKDM4ECYP4Z1ALDH1A1TDP1
SCHEMBL7306070 0.78 CYP4Z1 (0.39) MAPTKDM4ECYP4Z1ALDH1A1TDP1

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