SCHEMBL7348341

SCHEMBL7348341

Cc1cc2c(cc1C(=O)CCC(=O)O)OCC(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 2/20 0.46
TP53 P04637 8/20 0.46
LMNA P02545 3/20 0.46
MMP12 P39900 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
THRB P10828 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL7348190 0.95 MAPT (0.48) MAPTALDH1A1PKMTP53LMNA
SCHEMBL7341562 0.80 MAPT (0.53) MAPTALDH1A1TP53LMNAMMP12
SCHEMBL7341640 0.79 ALDH1A1 (0.71) MAPTALDH1A1PKMLMNAGAA
SCHEMBL19833989 0.78 GAA (0.56) MAPTALDH1A1PKMTP53LMNA
SCHEMBL7348083 0.78 ALDH1A1 (0.47) MAPTALDH1A1PKMTP53LMNA
SCHEMBL7350571 0.77 PDE3B (0.45) MAPTALDH1A1TP53MMP12GAA
SCHEMBL7343978 0.76 MAPT (0.43) MAPTALDH1A1PKMTP53LMNA
SCHEMBL2953764 0.75 MMP12 (0.64) MAPTALDH1A1PKMTP53LMNA
SCHEMBL7344688 0.74 PARP1 (0.43) MAPTALDH1A1PKMTP53LMNA
SCHEMBL19833923 0.72 MMP12 (0.49) MAPTALDH1A1PKMTP53LMNA

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