SCHEMBL22302863

SCHEMBL22302863

COc1ccc2c(c1)CCC(C(=O)Nc1ccccc1)C2=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.53
CYP27A1 Q02318 3/20 0.53
CYP26A1 O43174 2/20 0.52
DRD2 P14416 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
MAPK14 Q16539 1/20 0.48
RAB9A P51151 2/20 0.47
CYP19A1 P11511 1/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46

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
SCHEMBL22302859 0.85 ALDH1A1 (0.52) MAPK14RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4622848 0.82 CYP24A1 (0.58) CYP24A1CYP27A1CYP26A1DRD2HTR2A
SCHEMBL8921371 0.81 CYP24A1 (0.54) CYP24A1CYP27A1CYP26A1DRD2HTR2A
SCHEMBL31522714 0.81 DDB1 (0.56) MAPK14RAB9ACYP19A1DDB1CRBN
SCHEMBL28617274 0.81 ACHE (0.52) RAB9A
SCHEMBL22302860 0.78 RAB9A (0.48) CYP24A1CYP26A1RAB9ACYP19A1NPC1
SCHEMBL5217220 0.78 MAPK1 (0.53) CYP24A1CYP27A1CYP26A1DRD2HTR2A
SCHEMBL9131953 0.77 MEN1 (0.52) CYP24A1CYP27A1CYP26A1DRD2HTR2A
SCHEMBL15291331 0.76 CYP24A1 (0.52) CYP24A1CYP27A1CYP26A1DRD2HTR2A
SCHEMBL4548389 0.76 CYP24A1 (0.55) CYP24A1CYP27A1CYP26A1DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020158870-A1 PARKINSON'S DISEASE THERAPEUTIC 学校法人慶應義塾 2020-08-06 WO disclosed