SCHEMBL11786452

SCHEMBL11786452

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3CC[C@@]2(O)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 8/20 0.58
▸ USP2 O75604 2/20 0.55
▸ VDR P11473 1/20 0.55
▸ CDC25A P30304 4/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ POLA1 P09884 2/20 0.54
▸ FNTA P49354 5/20 0.53
▸ FNTB P49356 5/20 0.53
▸ NPC1 O15118 1/20 0.51
▸ TOP2A P11388 1/20 0.50
▸ TOP2B Q02880 1/20 0.50

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
SCHEMBL11786454 1.00 NPC1L1 (0.58) NPC1L1USP2VDRCDC25AMEN1
SCHEMBL11788002 0.90 NPC1L1 (0.56) NPC1L1USP2VDRCDC25APOLA1
SCHEMBL6393234 0.90 NPC1L1 (0.56) NPC1L1USP2VDRCDC25APOLA1
SCHEMBL25334704 0.89 VDR (0.54) NPC1L1USP2VDRCDC25APOLA1
SCHEMBL25334706 0.89 VDR (0.54) NPC1L1USP2VDRCDC25APOLA1
SCHEMBL11786843 0.89 USP2 (0.51) NPC1L1USP2VDRCDC25AMEN1
SCHEMBL11786829 0.89 USP2 (0.51) NPC1L1USP2VDRCDC25AMEN1
SCHEMBL21561555 0.87 VDR (0.58) USP2VDRPOLA1TOP2ATOP2B
SCHEMBL11694285 0.84 NPC1L1 (0.62) NPC1L1USP2VDRCDC25AMEN1
SCHEMBL11845915 0.84 NPC1L1 (0.75) NPC1L1USP2VDRCDC25AMEN1

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-3963765-A Preparation of derivatives of cholesterol MAZUR YEHUDA 1976-06-15 — — US claimed
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