SCHEMBL7346995

SCHEMBL7346995

COc1cc2c(cc1C(=O)C(C)CC(=O)O)N(C)C(=O)C(CC(C)C)O2

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
PPARG P37231 1/20 0.31
ACHE P22303 1/20 0.31
HTR4 Q13639 1/20 0.31
F10 P00742 1/20 0.31
STING1 Q86WV6 3/20 0.30

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
SCHEMBL7486487 0.70
SCHEMBL7348797 0.68 ITGB3 (0.33) F2ITGB3ITGA2B
SCHEMBL7343501 0.68 RIPK1 (0.32) PPARG
SCHEMBL7341109 0.67 PDE3B (0.32) F10
SCHEMBL7348843 0.66 CYP3A4 (0.37) F2ITGB3ITGA2BF10
SCHEMBL30954168 0.63 ALDH1A1 (0.37)
SCHEMBL7346321 0.63 BRD4 (0.40)
SCHEMBL7351024 0.62 KMO (0.39) F10
SCHEMBL10559140 0.61 IRAK4 (0.38)
SCHEMBL31457695 0.61 GRIN2D (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509845-A1 (+) and (-) enantiomers of 5-aliphatic-6-(benzoxazinyl- or benzothiazinyl)-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1992-10-21 EP disclosed
US-5081242-A Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1992-01-14 US disclosed
US-4766118-A CARDIOTONIC AGENTS, PHOSPHODIESTERASE INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-23 US disclosed
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 EP disclosed
US-4721784-A MUSCLE RELAXANTS, BRONCHODILATOR AGENTS, CARDIOTONIC AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-01-26 US disclosed