SCHEMBL2555832

SCHEMBL2555832

O=Cc1cc(OCCCC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.51
PPARA Q07869 1/20 0.44
BACE1 P56817 1/20 0.43
MAPT P10636 4/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE2A O00408 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
SERPINE1 P05121 1/20 0.41

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
Hydrochloric Acid SCHEMBL7309631 0.99 SIRT5 (0.50) SIRT5PPARABACE1MAPTFFAR1
SCHEMBL7319416 0.96 SIRT5 (0.50) SIRT5PPARABACE1MAPTFFAR1
Hydrochloric Acid SCHEMBL7317739 0.95 SIRT5 (0.49) SIRT5PPARABACE1MAPTFFAR1
SCHEMBL7305496 0.95 SIRT5 (0.49) SIRT5PPARABACE1MAPTFFAR1
SCHEMBL7315327 0.95 SIRT5 (0.49) SIRT5PPARABACE1MAPTFFAR1
Hydrochloric Acid SCHEMBL7321238 0.94 SIRT5 (0.48) SIRT5PPARABACE1MAPTFFAR1
Hydrochloric Acid SCHEMBL7317049 0.94 SIRT5 (0.48) SIRT5PPARABACE1MAPTFFAR1
SCHEMBL10652642 0.90 MAPT (0.46) SIRT5BACE1MAPTKDM4EMEN1
SCHEMBL7308163 0.90 SIRT5 (0.44) SIRT5PPARAMAPTFFAR1FFAR4
SCHEMBL7309626 0.88 SIRT5 (0.43) SIRT5BACE1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-4904667-A 1H-1,2,4-thiadiazolo(3,4-b)quinazolin-5-one-2,2-dioxides, and a method for increasing the cardiac output of a mammal with them ORTHO PHARMACEUTICAL CORPORATION (US) 1990-02-27 US disclosed
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-4775674-A CARDIOTONIC AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-04 US 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