SCHEMBL11165877

SCHEMBL11165877

CC(C1CC(=O)c2ccccc2O1)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.50
ADORA3 P0DMS8 3/20 0.50
AR P10275 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP19A1 P11511 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD11B1 P28845 1/20 0.44
AKR1C3 P42330 1/20 0.44
AXL P30530 1/20 0.42
SIGMAR1 Q99720 2/20 0.39
ABCB1 P08183 2/20 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
SCHEMBL6836628 0.84 MAOB (0.56) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL11167408 0.81 MAOB (0.47) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL11376090 0.79 MAOB (0.50) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL14992983 0.78 MAOB (0.56) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL8035502 0.78 CYP19A1 (0.41) MAOBCYP19A1
SCHEMBL13690008 0.77 MAOB (0.48) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL69392 0.72 MAOB (0.61) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL15147107 0.72 MAOB (0.61) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL9819236 0.72 MAOB (0.61) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL23957137 0.72 MAOB (0.43) MAOBADORA3ARKDM4ECYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0020018-B1 CHROMAN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-06-01 EP disclosed
US-4377629-A ELECTROGRAPHY USING A HEAT RESISTANT RESIN CONTAINING ELECTRICALLY CONDUCTIVE MATERIAL KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1983-03-22 US disclosed
US-4303656-A ANOREXIC AGENTS BEECHAM GROUP LIMITED (GB) 1981-12-01 US disclosed
EP-0020018-A1 Chroman derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1980-12-10 EP disclosed