SCHEMBL7269382

SCHEMBL7269382

CC1(C)CC(=O)c2cc(C#N)ccc2O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
MAOB P27338 2/20 0.56
KDM4E B2RXH2 12/20 0.50
ALDH1A1 P00352 11/20 0.50
GAA P10253 8/20 0.50
HPGD P15428 6/20 0.50
GLA P06280 5/20 0.50
CASP1 P29466 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CASP7 P55210 1/20 0.50
MALT1 Q9UDY8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
HTR2A P28223 1/20 0.45
NPC1 O15118 1/20 0.44
PGR P06401 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL20766465 0.88 MAOB (0.66) MAPTMAOBKDM4EALDH1A1GAA
SCHEMBL30523691 0.88 MAOB (0.66) MAPTMAOBKDM4EALDH1A1GAA
SCHEMBL6591837 0.85 MAPT (0.61) MAPTMAOBKDM4EALDH1A1GAA
SCHEMBL9765386 0.81 HTR2A (0.45) MAPTMAOBKDM4EALDH1A1GAA
SCHEMBL31513302 0.81 HTR2A (0.45) MAPTMAOBKDM4EALDH1A1GAA
SCHEMBL6591390 0.81 MAPT (0.57) MAPTMAOBKDM4EALDH1A1GAA
SCHEMBL8797759 0.80 MAOB (0.42) MAPTMAOBKDM4EALDH1A1GAA
SCHEMBL9198669 0.80 MAOB (0.44) MAPTMAOBKDM4EALDH1A1GAA
SCHEMBL8312866 0.79 HTR2A (0.41) MAPTMAOBMALT1HTR2APGR
SCHEMBL8535332 0.79 HTR2A (0.44) MAPTMAOBKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP claimed
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0425980-B1 Process for the separation of enantiomers of benzopyran derivatives MERCK PATENT GMBH (DE) 1994-07-27 EP disclosed
EP-0340718-B1 Chroman derivatives MERCK PATENT GMBH (DE) 1994-07-20 EP disclosed
EP-0410208-B1 Chroman derivatives MERCK PATENT GMBH (DE) 1994-06-22 EP disclosed
US-5103025-A PROCESS FOR THE RESOLUTION OF ENANTIOMERS OF BENZOPYRAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-07 US disclosed
US-5071871-A Pharmaceutically useful benzo(β)pyranes and pyranopyridines SANDOZ LTD. (CH) 1991-12-10 US disclosed
EP-0425980-A1 Process for the separation of enantiomers of benzopyran derivatives MERCK PATENT GmbH (DE) 1991-05-08 EP disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0410208-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-01-30 EP disclosed
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP disclosed
EP-0346724-A1 Chroman derivates MERCK PATENT GmbH (DE) 1989-12-20 EP disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed