SCHEMBL7758755

SCHEMBL7758755

CC(=O)OC1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@@H](C)C(C)CO)[C@@]4(C)CC[C@@H]32)C1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 3/20 0.76
▸ USP2 O75604 1/20 0.76
▸ ST6GAL1 P15907 1/20 0.60
▸ CDC25A P30304 3/20 0.58
▸ ABCC4 O15439 1/20 0.58
▸ POLA1 P09884 1/20 0.58

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
SCHEMBL4738784 0.92 VDR (0.79) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL4738787 0.92 VDR (0.79) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL26753756 0.90 VDR (0.81) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL18508033 0.90 VDR (0.78) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL18576112 0.88 VDR (0.82) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL15976037 0.88 VDR (0.79) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL26753754 0.88 VDR (0.81) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL11530914 0.87 VDR (0.77) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL11530918 0.87 VDR (0.77) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL11467719 0.87 VDR (0.80) VDRUSP2ST6GAL1CDC25AABCC4

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
EP-1082022-A1 ESTERIFIED AND SUBSEQUENTLY HYDROGENATED PHYTOSTEROL COMPOSITIONS AND USE THEREOF IN FOODS, BEVERAGES, PHARMACEUTICALS, NUTRACEUTICALS AND THE LIKE Forbes Medi-Tech Inc. (CA) 2001-03-14 — — EP disclosed
WO-1999059421-A1 ESTERIFIED AND SUBSEQUENTLY HYDROGENATED PHYTOSTEROL COMPOSITIONS AND USE THEREOF IN FOODS, BEVERAGES, PHARMACEUTICALS, NUTRACEUTICALS AND THE LIKE FORBES MEDI-TECH INC. (CA) 1999-11-25 — — WO disclosed
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