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Sugi Predict / Compounds / SCHEMBL4737702

SCHEMBL4737702

SCHEMBL4737702

CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC[C@@H](CC)C(C)C)CC[C@@H]32)C1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 3/20 0.63
▸ USP2 O75604 1/20 0.63
▸ ST6GAL1 P15907 1/20 0.59
▸ ABCC4 O15439 1/20 0.56
▸ CYP2C9 P11712 1/20 0.55
▸ HIF1A Q16665 1/20 0.55

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
SCHEMBL4737705 1.00 VDR (0.63) VDRUSP2ST6GAL1ABCC4CYP2C9
SCHEMBL4737575 0.95 VDR (0.61) VDRUSP2ST6GAL1ABCC4
SCHEMBL4737581 0.95 VDR (0.61) VDRUSP2ST6GAL1ABCC4
SCHEMBL3914925 0.94 VDR (0.60) VDRUSP2ST6GAL1ABCC4
SCHEMBL4735814 0.94 VDR (0.60) VDRUSP2ST6GAL1ABCC4
SCHEMBL7619068 0.94 VDR (0.62) VDRUSP2ST6GAL1ABCC4CYP2C9
SCHEMBL4734844 0.93 VDR (0.59) VDRUSP2ST6GAL1ABCC4
SCHEMBL4737067 0.93 VDR (0.59) VDRUSP2ST6GAL1ABCC4
SCHEMBL4734416 0.93 VDR (0.59) VDRUSP2ST6GAL1ABCC4
SCHEMBL4734954 0.93 VDR (0.59) VDRUSP2ST6GAL1ABCC4

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-2008077247-A1 COATINGS FOR IMPLANTABLE MEDICAL DEVICES COMPRISING CHOLESTEROL MIV THERAPEUTICS INC. (CA) 2008-07-03 — — WO disclosed