SCHEMBL25844989

SCHEMBL25844989

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
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 0.30
CYP19A1 P11511 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
LMNA P02545 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
SCHEMBL25844791 0.90 NPSR1 (0.38) NPSR1
SCHEMBL25844986 0.90 NPSR1 (0.35) NPSR1SMN1; SMN2ALDH1A1TP53L3MBTL1
SCHEMBL26312816 0.84 NPSR1 (0.38) NPSR1RXFP1
SCHEMBL25844993 0.84 NPSR1 (0.41) NPSR1RXFP1SMN1; SMN2ALDH1A1TP53
SCHEMBL25844789 0.80 NPSR1 (0.35) NPSR1ALDH1A1
SCHEMBL12204997 0.80 ALDH1A1 (0.46) NPSR1SMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL12159398 0.79 ALDH1A1 (0.40) NPSR1ALDH1A1MEN1KMT2ACYP17A1
SCHEMBL25844991 0.79 NPSR1 (0.34) NPSR1SMN1; SMN2ALDH1A1TP53L3MBTL1
SCHEMBL26488804 0.78 NPSR1 (0.40) NPSR1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL13450031 0.78 NPSR1 (0.48) NPSR1RXFP1SMN1; SMN2ALDH1A1L3MBTL1

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