SCHEMBL7320131

SCHEMBL7320131

CCOC(=O)CCCCOc1cc(C)c(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
LTA4H P09960 4/20 0.40
TNF P01375 1/20 0.40
BRD4 O60885 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PDK2 Q15119 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7306772 0.97 MAPT (0.44) MAPTKDM4EALDH1A1TDP1LTA4H
SCHEMBL7306516 0.88 MAPT (0.41) MAPTKDM4EALDH1A1TDP1LTA4H
SCHEMBL7306623 0.87 MCL1 (0.44) MAPTKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7311614 0.86 MAPT (0.41) MAPTKDM4EALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL7311619 0.86 MCL1 (0.43) MAPTKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7316016 0.83 MCL1 (0.45) MAPTKDM4EALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL7317408 0.82 MCL1 (0.44) MAPTKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7317402 0.82 MAPT (0.39) MAPTKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL18155122 0.82 ALDH1A1 (0.52) MAPTKDM4EALDH1A1TDP1LTA4H
SCHEMBL7319206 0.82 MAPT (0.43) MAPTKDM4EALDH1A1TDP1TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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