SCHEMBL12334397

SCHEMBL12334397

CC(C)(C)OC(=O)COC12CC3CC(C1)CC(C(=O)OCCC(F)F)(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 5/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 2/20 0.30
EPHX2 P34913 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL12334396 0.87 NPSR1 (0.44) NPSR1L3MBTL1ALDH1A1TP53LMNA
SCHEMBL14770348 0.80 NPSR1 (0.37) NPSR1ALDH1A1
SCHEMBL14770314 0.80 NPSR1 (0.37) NPSR1ALDH1A1
SCHEMBL14760577 0.79 NPSR1 (0.36) NPSR1
SCHEMBL25568859 0.75 NPSR1 (0.43) NPSR1L3MBTL1ALDH1A1TP53LMNA
SCHEMBL5442806 0.74 NPSR1 (0.49) NPSR1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL14760530 0.72 ALDH1A1 (0.34) NPSR1L3MBTL1ALDH1A1TP53LMNA
SCHEMBL12705428 0.71 NPSR1 (0.43) NPSR1L3MBTL1ALDH1A1TP53LMNA
SCHEMBL24268511 0.71 NPSR1 (0.40) NPSR1ALDH1A1
SCHEMBL135702 0.71 ALDH1A1 (0.53) NPSR1ALDH1A1LMNAMEN1KMT2A

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-2011115138-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST PATTERN FORMATION METHOD JSR株式会社 (JP) 2011-09-22 WO disclosed