SCHEMBL7344276

SCHEMBL7344276

Cc1cc2c(c(C(=O)C(C)CC(=O)O)c1)OCC(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
MMP12 P39900 1/20 0.40
NR3C2 P08235 1/20 0.39
THRB P10828 1/20 0.36
PARP1 P09874 2/20 0.36
ADRB2 P07550 7/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB1 P08588 3/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7291865 0.81 PDE3B (0.50) PDE3BPDE3AMMP12NR3C2PARP1
SCHEMBL7340574 0.80 ALDH1A1 (0.37)
SCHEMBL7350571 0.79 PDE3B (0.45) PDE3BPDE3AMMP12NR3C2PARP1
SCHEMBL7344688 0.79 PARP1 (0.43) PDE3BPDE3AMMP12THRBPARP1
SCHEMBL10033073 0.78 PDE3B (0.50) PDE3BPDE3AMMP12NR3C2PARP1
SCHEMBL7341253 0.72 ALDH1A1 (0.58) MMP12PARP1LMNASMN1; SMN2POLB
SCHEMBL7343583 0.72 ALDH1A1 (0.46) MMP12PARP1LMNA
SCHEMBL22312376 0.70 PDE3B (0.53) PDE3BPDE3AMMP12NR3C2PARP1
SCHEMBL12116980 0.70 PDE3B (0.53) PDE3BPDE3AMMP12NR3C2PARP1
SCHEMBL4102418 0.70 PDE3B (0.56) PDE3BPDE3AMMP12NR3C2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071427-A 6-Benzoxazinyl and 6-benzothiazine base-2,3,4,5-tetrahydro pyridazine-3-ketone ORTHO PHARMA CORP (US) 1993-04-28 CN disclosed
US-5081242-A Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1992-01-14 US disclosed
CN-87108354-A 6-benzoxazinyl and 6-benzothiazinyl-2, 3, 4, 5-tetrahydropyridazin-3-ones 1988-09-21 CN 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