SCHEMBL6825975

SCHEMBL6825975

C=CC1CC(=O)c2ccccc2O1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.56
ADORA3 P0DMS8 3/20 0.56
AR P10275 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP19A1 P11511 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
HSD11B1 P28845 1/20 0.49
AKR1C3 P42330 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
AXL P30530 1/20 0.46
SIGMAR1 Q99720 4/20 0.42
ABCB1 P08183 1/20 0.42
GUSB P08236 1/20 0.39
HTR1A P08908 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
SCHEMBL6920340 0.79 MAOB (0.51) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL6825936 0.78 CYP19A1 (0.58) MAOBARKDM4ECYP19A1
SCHEMBL6828122 0.78 PBRM1 (0.61) MAOBARCYP19A1RAB9ACYP3A4
SCHEMBL6827986 0.78 RAB9A (0.51) MAOBKDM4ECYP19A1NPC1RAB9A
SCHEMBL6826536 0.78 AR (0.51) MAOBARCYP19A1RAB9AMAPT
SCHEMBL7361033 0.77 MAOB (0.61) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL30142986 0.74 HRH3 (0.49) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL10344116 0.74 MAOB (0.62) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL12060988 0.74 HRH3 (0.49) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL8373024 0.74 MAOB (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004113317-A1 NOVEL ANTIMICROBIAL CHROMAN-4-ONES ERNST-MORITZ-ARNDT- UNIVERSITÄT (DE) 2004-12-29 WO claimed
WO-2004113317-A1 NOVEL ANTIMICROBIAL CHROMAN-4-ONES ERNST-MORITZ-ARNDT- UNIVERSITÄT (DE) 2004-12-29 WO disclosed