5Alpha-Cholestan-3Beta-Ol-6-One

5Alpha-Cholestan-3Beta-Ol-6-One

SCHEMBL7996326

C=C.CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.96

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 5/20 0.96
USP2 O75604 4/20 0.96
LMNA P02545 3/20 0.96
RORC P51449 3/20 0.57
OSBP P22059 2/20 0.57
OSBP2 Q969R2 2/20 0.57
ABCB1 P08183 1/20 0.57
CYP46A1 Q9Y6A2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
RORA P35398 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX15 P16050 1/20 0.55
TP53 P04637 1/20 0.55
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
CDC25A P30304 1/20 0.53
GPR183 P32249 1/20 0.52
GPBAR1 Q8TDU6 2/20 0.52

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
5Alpha-Cholestan-3Beta-Ol-6-One SCHEMBL26653578 0.98 NPC1L1 (1.00) NPC1L1USP2LMNARORCOSBP
5Alpha-Cholestan-3Beta-Ol-6-One SCHEMBL4276094 0.98 NPC1L1 (1.00) NPC1L1USP2LMNARORCOSBP
5Alpha-Cholestan-3Beta-Ol-6-One SCHEMBL248174 0.98 NPC1L1 (1.00) NPC1L1USP2LMNARORCOSBP
5Alpha-Cholestan-3Beta-Ol-6-One SCHEMBL14420788 0.98 NPC1L1 (1.00) NPC1L1USP2LMNARORCOSBP
5Alpha-Cholestan-3Beta-Ol-6-One SCHEMBL12430811 0.98 NPC1L1 (1.00) NPC1L1USP2LMNARORCOSBP
5Alpha-Cholestan-3Beta-Ol-6-One SCHEMBL5341515 0.98 NPC1L1 (1.00) NPC1L1USP2LMNARORCOSBP
5Alpha-Cholestan-3Beta-Ol-6-One SCHEMBL13429389 0.98 NPC1L1 (1.00) NPC1L1USP2LMNARORCOSBP
5Alpha-Cholestan-3Beta-Ol-6-One SCHEMBL18407109 0.98 NPC1L1 (1.00) NPC1L1USP2LMNARORCOSBP
5Alpha-Cholestan-3Beta-Ol-6-One SCHEMBL14898038 0.98 NPC1L1 (1.00) NPC1L1USP2LMNARORCOSBP
5Alpha-Cholestan-3Beta-Ol-6-One SCHEMBL26653575 0.98 NPC1L1 (1.00) NPC1L1USP2LMNARORCOSBP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288041-B1 Sialic acid derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2001-09-11 US disclosed
EP-0837070-A1 SIALIC ACID DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1998-04-22 EP disclosed