SCHEMBL7313345

SCHEMBL7313345

CCOC(=O)CCCCOc1cccc(C=O)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 7/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
S1PR4 O95977 1/20 0.48
ITGA4 P13612 1/20 0.48
S1PR1 P21453 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TLR9 Q9NR96 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.41
LTA4H P09960 3/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7320513 0.99 ALDH1A1 (0.47) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL7319321 0.97 MAPT (0.49) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL7321378 0.84 PTGDR2 (0.47) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL10745866 0.84 ALDH1A1 (0.56) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL7318544 0.83 PTGDR2 (0.46) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL7318533 0.83 ALDH1A1 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL7310010 0.83 PTGDR2 (0.46) ALDH1A1MAPTHPGDSMN1; SMN2L3MBTL1
SCHEMBL7315249 0.83 TNF (0.39) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL16147086 0.83 ALDH1A1 (0.54) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL18554129 0.83 TNF (0.48) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1

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