SCHEMBL18576366

SCHEMBL18576366

CC(=O)O[C@@H]1CC[C@@]2(C)C(CCC3C2CC[C@@]2(C)C3CCC2[C@H](C)CC(=O)O)C1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 3/20 0.81
▸ USP2 O75604 1/20 0.81
▸ GPBAR1 Q8TDU6 1/20 0.72
▸ ST6GAL1 P15907 1/20 0.69
▸ CDC25A P30304 2/20 0.61
▸ ABCC4 O15439 1/20 0.61
▸ POLA1 P09884 1/20 0.61

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
SCHEMBL12192042 1.00 VDR (0.81) VDRUSP2GPBAR1ST6GAL1CDC25A
SCHEMBL18575846 0.90 VDR (1.00) VDRUSP2GPBAR1ST6GAL1ABCC4
SCHEMBL22855545 0.90 VDR (1.00) VDRUSP2GPBAR1ST6GAL1ABCC4
SCHEMBL678540 0.90 VDR (1.00) VDRUSP2GPBAR1ST6GAL1ABCC4
SCHEMBL18994243 0.90 VDR (1.00) VDRUSP2GPBAR1ST6GAL1ABCC4
SCHEMBL24897190 0.90 VDR (1.00) VDRUSP2GPBAR1ST6GAL1ABCC4
SCHEMBL11457420 0.90 VDR (1.00) VDRUSP2GPBAR1ST6GAL1ABCC4
SCHEMBL22871870 0.90 VDR (1.00) VDRUSP2GPBAR1ST6GAL1ABCC4
SCHEMBL18265875 0.90 VDR (1.00) VDRUSP2GPBAR1ST6GAL1ABCC4
SCHEMBL14360682 0.90 VDR (1.00) VDRUSP2GPBAR1ST6GAL1ABCC4

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
WO-2017035501-A1 SIALYLTRANSFERASE INHIBITORS AND USES THEREOF ACADEMIA SINICA (TW) 2017-03-02 — — WO disclosed
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