SCHEMBL4454947

SCHEMBL4454947

O=C(O)/C(=C/c1ccccc1)CC(=O)N1C[C@H]2CCCC[C@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
RECQL P46063 1/20 0.40
HPGD P15428 5/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
F2 P00734 1/20 0.36
OPRK1 P41145 1/20 0.36
LMNA P02545 1/20 0.36
MME P08473 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4454944 1.00 CYP3A4 (0.44) CYP3A4CYP2C9RECQLHPGDALDH1A1
SCHEMBL4456248 1.00 CYP3A4 (0.44) CYP3A4CYP2C9RECQLHPGDALDH1A1
SCHEMBL4456242 1.00 CYP3A4 (0.44) CYP3A4CYP2C9RECQLHPGDALDH1A1
SCHEMBL2861462 1.00 CYP3A4 (0.44) CYP3A4CYP2C9RECQLHPGDALDH1A1
SCHEMBL2861464 1.00 CYP3A4 (0.44) CYP3A4CYP2C9RECQLHPGDALDH1A1
SCHEMBL8170512 1.00 CYP3A4 (0.44) CYP3A4CYP2C9RECQLHPGDALDH1A1
SCHEMBL2861461 1.00 CYP3A4 (0.44) CYP3A4CYP2C9RECQLHPGDALDH1A1
SCHEMBL9048573 0.92 CYP3A4 (0.40) CYP3A4CYP2C9RECQLHPGDALDH1A1
SCHEMBL9048580 0.92 CYP3A4 (0.40) CYP3A4CYP2C9RECQLHPGDALDH1A1
SCHEMBL27745843 0.92 CYP3A4 (0.40) CYP3A4CYP2C9RECQLHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507534-B1 Succinic acid compounds KISSEI PHARMACEUTICAL (JP) 1996-02-28 EP claimed
EP-1931359-A4 COMBINATION THERAPY FOR CONTROLLED CARBOHYDRATE DIGESTION ELIXIR PHARMACEUTICALS INC (US) 2009-04-01 EP disclosed
EP-1931359-A2 COMBINATION THERAPY FOR CONTROLLED CARBOHYDRATE DIGESTION Elixir Pharmaceuticals, Inc. (US) 2008-06-18 EP disclosed
WO-2007033292-A2 COMBINATION THERAPY FOR CONTROLLED CARBOHYDRATE DIGESTION ELIXIR PHARMACEUTICALS, INC. (US) 2007-03-22 WO disclosed
EP-0507534-B1 Succinic acid compounds KISSEI PHARMACEUTICAL (JP) 1996-02-28 EP disclosed
US-5202335-A Hypoglycemic, antidiabetic agents KISSEI PHARMACEUTICAL CO., LTD. (JP) 1993-04-13 US disclosed
EP-0507534-A1 Succinic acid compounds KISSEI PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP disclosed