SCHEMBL7672245

SCHEMBL7672245

ONC1C2CC3CC(C2)CC1C3

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.52
CYP2C9 P11712 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HSD17B10 Q99714 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HSD11B1 P28845 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
NPC1 O15118 1/20 0.39
EPHX1 P07099 1/20 0.39
KMT2A Q03164 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
SCHEMBL1072726 0.73 EPHX2 (0.50) EPHX2CYP2C9L3MBTL1HSD17B10CA1
SCHEMBL11148891 0.73 EPHX2 (0.50) EPHX2CYP2C9L3MBTL1HSD17B10CA1
Hydrochloric Acid SCHEMBL11156725 0.71 EPHX2 (0.48) EPHX2CYP2C9L3MBTL1HSD17B10CA1
SCHEMBL6154505 0.69 EPHX2 (0.58) EPHX2L3MBTL1HSD17B10HSD11B1SIGMAR1
SCHEMBL3073976 0.69 EPHX2 (1.00) EPHX2L3MBTL1HSD17B10HSD11B1KMT2A
SCHEMBL3069167 0.69 EPHX2 (0.70) EPHX2L3MBTL1HSD17B10HSD11B1NPC1
SCHEMBL12653204 0.69 CA1 (0.48) EPHX2CYP2C9L3MBTL1HSD17B10CA1
SCHEMBL2297553 0.69 EPHX2 (0.46) EPHX2CYP2C9L3MBTL1HSD17B10CA1
SCHEMBL1502375 0.69 CA1 (0.48) EPHX2CYP2C9L3MBTL1HSD17B10CA1
SCHEMBL12408108 0.69 EPHX2 (0.46) EPHX2CYP2C9L3MBTL1HSD17B10CA1

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-3110795-A1 NOVEL ECONOMIC PROCESS FOR VILDAGLIPTIN Hikal Limited (IN) 2017-01-04 EP disclosed
WO-2015128718-A1 NOVEL ECONOMIC PROCESS FOR VILDAGLIPTIN HIKAL LIMITED (IN) 2015-09-03 WO disclosed
US-6376540-B1 PREVENT NEURODEGENERATIVE DISEASE CENTAUR PHARMACEUTICALS, INC. 2002-04-23 US disclosed
EP-1021430-A1 FURAN NITRONE COMPOUNDS CENTAUR PHARMACEUTICALS, INC. (US) 2000-07-26 EP disclosed
US-6051571-A NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTAUR PHARMACEUTICALS, INC. (US) 2000-04-18 US disclosed
US-6040444-A Process for preparing furan nitrone compounds CENTAUR PHARMACEUTICALS, INC. (US) 2000-03-21 US disclosed
US-5942507-A REAGANTS FOR DETECTION FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 1999-08-24 US disclosed
WO-1998003496-A1 FURAN NITRONE COMPOUNDS CENTAUR PHARMACEUTICALS, INC. (US) 1998-01-29 WO disclosed