SCHEMBL22855053

COCCOCCOCC(=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)CCC(=O)O)CC[C@@H]32)C1

nearest known ligand 0.76

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	VDR	P11473	3/20	0.72

▸	USP2	O75604	1/20	0.72

▸	ST6GAL1	P15907	1/20	0.67

▸	ABCC4	O15439	1/20	0.65

▸	TP53	P04637	1/20	0.61

▸	MAPK1	P28482	1/20	0.61

▸	CASP7	P55210	1/20	0.61

▸	HSD17B10	Q99714	1/20	0.61

▸	GPBAR1	Q8TDU6	1/20	0.61

▸	BLM	P54132	1/20	0.61

▸	TDP1	Q9NUW8	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.

Compound	similarity	top predicted	shared targets
SCHEMBL22855501	1.00	VDR (0.72)	VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22855103	1.00	VDR (0.72)	VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22855058	0.99	VDR (0.73)	VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22855112	0.93	VDR (0.72)	VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22855110	0.93	VDR (0.63)	VDRUSP2ST6GAL1ABCC4
SCHEMBL22855055	0.93	VDR (0.71)	VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22855089	0.91	VDR (0.79)	VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22855054	0.90	VDR (0.71)	VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22855056	0.90	VDR (0.71)	VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22855037	0.90	VDR (0.71)	VDRUSP2ST6GAL1ABCC4TP53

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2020260558-A1	3-MODIFIED ISO-/ISOALLO-LITHOCHOLIC ACID DERIVATIVES OR THEIR HOMO-ANALOGS FOR PREVENTING AND TREATING CLOSTRIDIOIDES DIFFICILE-ASSOCIATED DISEASES	PHENEX PHARMACEUTICALS AG (DE)	2020-12-30	—	—	WO	disclosed