SCHEMBL7864908

SCHEMBL7864908

C=C(O)C1CCCC2C(=O)C[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]34)[C@@]12C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 4/20 0.65
USP2 O75604 3/20 0.65
LMNA P02545 2/20 0.65
FNTA P49354 7/20 0.53
FNTB P49356 7/20 0.53
CDC25A P30304 2/20 0.52
SRD5A1 P18405 3/20 0.48
SRD5A2 P31213 3/20 0.48
RORA P35398 1/20 0.48
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
ABCB1 P08183 1/20 0.47
OSBP P22059 1/20 0.47
RORC P51449 1/20 0.47
OSBP2 Q969R2 1/20 0.47
CYP46A1 Q9Y6A2 1/20 0.47

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
SCHEMBL248173 0.87 NPC1L1 (0.72) NPC1L1USP2LMNAFNTAFNTB
SCHEMBL11321979 0.87 NPC1L1 (0.72) NPC1L1USP2LMNAFNTAFNTB
SCHEMBL14924215 0.82 USP2 (0.74) NPC1L1USP2LMNAFNTAFNTB
SCHEMBL863638 0.82 USP2 (0.74) NPC1L1USP2LMNAFNTAFNTB
SCHEMBL29015206 0.82 USP2 (0.74) NPC1L1USP2LMNAFNTAFNTB
SCHEMBL7990435 0.82 NPC1L1 (0.62) NPC1L1USP2LMNAFNTAFNTB
SCHEMBL11335948 0.82 NPC1L1 (0.62) NPC1L1USP2LMNAFNTAFNTB
SCHEMBL7861693 0.81 USP2 (0.61) NPC1L1USP2LMNAFNTAFNTB
5Alpha-Cholestan-3Beta-Ol-6-One SCHEMBL7996326 0.79 NPC1L1 (0.96) NPC1L1USP2LMNAFNTAFNTB
5Alpha-Cholestan-3Beta-Ol-6-One SCHEMBL12430811 0.79 NPC1L1 (1.00) NPC1L1USP2LMNAFNTAFNTB

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