SCHEMBL22867686

SCHEMBL22867686

COc1ccc2c(c1)CCC(OC)C2=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.55
CYP27A1 Q02318 3/20 0.55
CYP26A1 O43174 3/20 0.55
CYP19A1 P11511 1/20 0.55
DRD2 P14416 3/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
METAP1 P53582 3/20 0.49
ACHE P22303 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL13039619 0.84 DRD2 (0.60) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL630841 0.83 ACHE (0.58) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL7271049 0.83 CYP24A1 (0.56) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL630276 0.82 CYP24A1 (0.70) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL3587277 0.81 CYP24A1 (0.55) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL2440274 0.81 CYP24A1 (0.56) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL5753017 0.81 CYP24A1 (0.55) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
Hydrochloric Acid SCHEMBL1813880 0.80 CYP24A1 (0.54) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL7519184 0.80 CYP24A1 (0.54) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL6669546 0.79 CYP24A1 (0.53) CYP24A1CYP27A1CYP26A1CYP19A1DRD2

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-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 WO disclosed