SCHEMBL7312883

SCHEMBL7312883

CCOC(=O)CCCCCOc1ccc([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 7/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
NTSR1 P30989 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTA4H P09960 3/20 0.44
BRD4 O60885 1/20 0.44
FFAR1 O14842 1/20 0.44
PDK2 Q15119 1/20 0.44
SIRT5 Q9NXA8 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL7308168 1.00 ALDH1A1 (0.47) ALDH1A1TDP1MAPTLMNACYP1A2
SCHEMBL7319981 0.99 ALDH1A1 (0.47) ALDH1A1TDP1MAPTLMNACYP1A2
SCHEMBL7315331 0.95 ALDH1A1 (0.48) ALDH1A1TDP1MAPTLMNACYP1A2
SCHEMBL7311849 0.91 MAPT (0.47) ALDH1A1TDP1MAPTLMNACYP1A2
SCHEMBL7312411 0.90 MAPT (0.48) ALDH1A1TDP1MAPTLMNACYP1A2
SCHEMBL7318598 0.86 MAPT (0.49) ALDH1A1TDP1MAPTLMNACYP1A2
SCHEMBL18155122 0.86 ALDH1A1 (0.52) ALDH1A1TDP1MAPTLMNACYP1A2
SCHEMBL7305496 0.85 SIRT5 (0.49) MAPTFFAR1PDK2SIRT5PDE3B
SCHEMBL7315327 0.85 SIRT5 (0.49) MAPTFFAR1PDK2SIRT5PDE3B
SCHEMBL7312583 0.85 ALDH1A1 (0.58) ALDH1A1TDP1MAPTLMNACYP1A2

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