SCHEMBL25844979

SCHEMBL25844979

CC(C)(Br)C(=O)OC12CC3CC(C1)CC(OC(=O)C(F)(F)S(=O)(=O)O)(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
SCN9A Q15858 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL14294660 0.90 ALDH1A1 (0.35) CYP17A1CYP19A1SCN9A
SCHEMBL25844786 0.86 CYP17A1 (0.33) CYP17A1CYP19A1
SCHEMBL18785627 0.86 DPP4 (0.35) CYP17A1CYP19A1SCN9A
SCHEMBL13225198 0.86 SCN9A (0.34) CYP17A1CYP19A1SCN9A
SCHEMBL10225060 0.85 TSHR (0.37) CYP17A1CYP19A1SCN9A
SCHEMBL15222943 0.84 DPP8 (0.32) CYP17A1CYP19A1SCN9ADPP8DPP9
SCHEMBL18785629 0.84 CYP17A1 (0.31) CYP17A1CYP19A1
SCHEMBL24116276 0.83 CYP17A1 (0.33) CYP17A1CYP19A1
SCHEMBL20886380 0.83 CYP17A1 (0.33) CYP17A1CYP19A1SCN9A
SCHEMBL786658 0.82 PKM (0.34) CYP17A1CYP19A1SCN9ADPP8DPP9

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
US-11709426-B2 Resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-07-25 US disclosed