SCHEMBL25844991

SCHEMBL25844991

CC(C)(Br)C(=O)OC12CC3CC(C1)CC(C(=O)OCC(F)CS(=O)(=O)O)(C3)C2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
PRKCA P17252 1/20 0.33
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL25844795 0.90 NPSR1 (0.34) NPSR1ALDH1A1LMNAPRKCAPKM
SCHEMBL25844986 0.81 NPSR1 (0.35) NPSR1ALDH1A1LMNATP53L3MBTL1
SCHEMBL25844993 0.81 NPSR1 (0.41) NPSR1ALDH1A1LMNATP53L3MBTL1
SCHEMBL25844989 0.79 NPSR1 (0.38) NPSR1ALDH1A1LMNATP53L3MBTL1
SCHEMBL18232610 0.78 ALDH1A1 (0.48) NPSR1ALDH1A1LMNAPRKCAL3MBTL1
SCHEMBL18232584 0.78 PRKCA (0.51) NPSR1ALDH1A1LMNAPRKCAMEN1
SCHEMBL25844956 0.76 CYP17A1 (0.34) CYP17A1CYP19A1
SCHEMBL18775967 0.73 CLK1 (0.32) NPSR1
SCHEMBL18775993 0.73 NPSR1 (0.44) NPSR1ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL26312820 0.73 NPSR1 (0.38) NPSR1ALDH1A1LMNA

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