SCHEMBL5059482

SCHEMBL5059482

CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 3/20 0.49
▸ LMNA P02545 3/20 0.47
▸ GPBAR1 Q8TDU6 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ EPHA2 P29317 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ AKR1B10 O60218 2/20 0.47
▸ AKR1B1 P15121 2/20 0.47
▸ EFNA1 P20827 1/20 0.47
▸ PSEN1 P49768 1/20 0.47
▸ PSEN2 P49810 1/20 0.47
▸ APH1B Q8WW43 1/20 0.47
▸ NCSTN Q92542 1/20 0.47
▸ APH1A Q96BI3 1/20 0.47
▸ PSENEN Q9NZ42 1/20 0.47
▸ POLA1 P09884 1/20 0.46
▸ TOP2A P11388 1/20 0.46
▸ TOP2B Q02880 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
SCHEMBL29011061 0.90 GRIN1 (0.52) NPC1L1LMNAGPBAR1HSD17B10TDP1
SCHEMBL2637544 0.86 NPC1L1 (0.66) NPC1L1LMNAMEN1KMT2APOLA1
SCHEMBL2637542 0.86 NPC1L1 (0.66) NPC1L1LMNAMEN1KMT2APOLA1
SCHEMBL11793322 0.84 OSBP (0.60) NPC1L1GRIN1GRIN2AGRIN2BVDR
SCHEMBL11793318 0.84 OSBP (0.60) NPC1L1GRIN1GRIN2AGRIN2BVDR
SCHEMBL27568442 0.82 NPC1L1 (0.47) NPC1L1LMNAGPBAR1HSD17B10TDP1
SCHEMBL9117647 0.82 LMNA (0.52) NPC1L1LMNAGPBAR1HSD17B10TDP1
SCHEMBL29716344 0.81 GRIN1 (0.45) NPC1L1LMNAGPBAR1HSD17B10TDP1
SCHEMBL29696216 0.79 NPC1L1 (0.41) NPC1L1LMNAGPBAR1HSD17B10TDP1
SCHEMBL7630863 0.78 GPBAR1 (0.70) LMNAGPBAR1HSD17B10TDP1EPHA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648223-A4 NPC1L1 (NPC3) AND METHODS OF USE THEREOF SCHERING CORP (US) 2008-02-27 — — EP disclosed
EP-1680189-A2 COMBINATIONS OF LIPID MODULATING AGENTS AND SUBSTITUTED AZETIDINONES AND TREATMENTS FOR VASCULAR CONDITIONS SCHERING CORPORATION (US) 2006-07-19 — — EP disclosed
EP-1648223-A1 NPC1L1 (NPC3) AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2006-04-26 — — EP disclosed
EP-1601669-A1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA SCHERING CORPORATION (US) 2005-12-07 — — EP disclosed
WO-2005046797-A2 COMBINATIONS OF LIPID MODULATING AGENTS AND SUBSTITUTED AZETIDINONES AND TREATMENTS FOR VASCULAR CONDITIONS SCHERING CORPORATION (US) 2005-05-26 — — WO disclosed
WO-2005015988-A1 NPC1L1 (NPC3) AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2005-02-24 — — WO disclosed
WO-2004081003-A1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLETEROLEMIA SCHERING CORPORATION (US) 2004-09-23 — — WO disclosed
WO-2002058733-A9 COMBINATIONS OF BILE ACID SEQUESTRANT(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORP (US) 2003-03-06 — — WO disclosed
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