SCHEMBL24812331

SCHEMBL24812331

COc1cc(C(C)O)ccc1OCCC1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.49
HPGD P15428 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HIF1A Q16665 2/20 0.41
PDE4B Q07343 1/20 0.41
EPAS1 Q99814 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACACB O00763 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL462345 0.81 FDPS (0.55) FDPSHPGDPPARGPPARDPPARA
SCHEMBL12016738 0.80 FDPS (0.54) FDPSPPARGPPARDPPARAHIF1A
SCHEMBL1766008 0.80 FDPS (0.54) FDPSHPGDPPARGPPARDPPARA
SCHEMBL7358235 0.78 PDE4B (0.46) FDPSHPGDDRD2DRD4PDE4B
SCHEMBL7350554 0.77 PDE4B (0.46) DRD2DRD4PDE4BKMT2AL3MBTL1
SCHEMBL25139486 0.77 PDE4A (0.47) HPGDPDE4BKMT2AKDM4E
SCHEMBL12344806 0.77 GAA (0.57) FDPSHPGDDRD2DRD4KMT2A
SCHEMBL8238025 0.77 PPARG (0.59) FDPSHPGDPPARGPPARDPPARA
SCHEMBL670305 0.77 PPARG (0.59) FDPSHPGDPPARGPPARDPPARA
SCHEMBL25139578 0.75 KMT2A (0.56) HPGDPDE4BKMT2AL3MBTL1KDM4E

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-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed