SCHEMBL25595294

SCHEMBL25595294

Cc1cc(C)c(OCC(=O)OC2(C)C3CC4CC(C3)CC2C4)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.44
CYP19A1 P11511 2/20 0.44
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
HSD11B1 P28845 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL17682337 0.90 CYP17A1 (0.43) CYP17A1CYP19A1L3MBTL1HSD11B1
SCHEMBL16406573 0.85 CYP17A1 (0.45) CYP17A1CYP19A1MAPTL3MBTL1POLB
SCHEMBL25818119 0.85 CYP17A1 (0.39) CYP17A1CYP19A1L3MBTL1
SCHEMBL25468324 0.84 CYP17A1 (0.43) CYP17A1CYP19A1HSD11B1ATMMEN1
SCHEMBL22821191 0.84 CYP17A1 (0.43) CYP17A1CYP19A1L3MBTL1HSD11B1TP53
SCHEMBL16406635 0.84 HTT (0.48) CYP17A1CYP19A1MAPTTDP1TP53
SCHEMBL47504 0.83 CYP17A1 (0.43) CYP17A1CYP19A1MAPTHSD11B1MEN1
Bromide SCHEMBL31708313 0.82 CYP17A1 (0.42) CYP17A1CYP19A1HSD11B1MEN1KMT2A
SCHEMBL12256943 0.82 CYP17A1 (0.38) CYP17A1CYP19A1L3MBTL1
Hydrochloric Acid SCHEMBL31564945 0.82 CYP17A1 (0.44) CYP17A1CYP19A1HSD11B1MEN1KMT2A

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-2023095563-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND PATTERN FORMATION METHOD JSR株式会社 2023-06-01 WO disclosed