SCHEMBL7861693

SCHEMBL7861693

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4CCCC(C=CN)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.61
NPC1L1 Q9UHC9 2/20 0.61
LMNA P02545 1/20 0.61
FNTA P49354 3/20 0.48
FNTB P49356 3/20 0.48
SRD5A1 P18405 6/20 0.48
SRD5A2 P31213 3/20 0.48
CDC25A P30304 4/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
INPP5D Q92835 1/20 0.46

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
SCHEMBL11321979 0.84 NPC1L1 (0.72) USP2NPC1L1LMNAFNTAFNTB
SCHEMBL248173 0.84 NPC1L1 (0.72) USP2NPC1L1LMNAFNTAFNTB
SCHEMBL863638 0.81 USP2 (0.74) USP2NPC1L1LMNAFNTAFNTB
SCHEMBL29015206 0.81 USP2 (0.74) USP2NPC1L1LMNAFNTAFNTB
SCHEMBL14924215 0.81 USP2 (0.74) USP2NPC1L1LMNAFNTAFNTB
SCHEMBL7864908 0.81 NPC1L1 (0.65) USP2NPC1L1LMNAFNTAFNTB
SCHEMBL7996293 0.80 NPC1L1 (0.61) USP2NPC1L1LMNAFNTAFNTB
SCHEMBL7990435 0.79 NPC1L1 (0.62) USP2NPC1L1LMNAFNTAFNTB
SCHEMBL11335948 0.79 NPC1L1 (0.62) USP2NPC1L1LMNAFNTAFNTB
SCHEMBL7996329 0.79 NPC1L1 (0.72) USP2NPC1L1LMNAFNTAFNTB

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
EP-0837070-B1 SIALIC ACID DERIVATIVES MITSUBISHI CHEM CORP (JP) 2001-10-31 EP disclosed