SCHEMBL22855347

C[C@H](CCC(=O)OCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.77

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	VDR	P11473	3/20	0.65

▸	USP2	O75604	1/20	0.65

▸	ST6GAL1	P15907	1/20	0.63

▸	CA1	P00915	1/20	0.62

▸	CA2	P00918	1/20	0.62

▸	ABCC4	O15439	1/20	0.59

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
SCHEMBL22855365	0.98	CA1 (0.65)	VDRUSP2ST6GAL1CA1CA2
SCHEMBL22855078	0.93	CA1 (0.61)	VDRUSP2ST6GAL1CA1CA2
SCHEMBL22855458	0.92	CA1 (0.60)	VDRUSP2ST6GAL1CA1CA2
SCHEMBL23710526	0.89	CA1 (0.60)	VDRUSP2ST6GAL1CA1CA2
SCHEMBL30103329	0.89	CA1 (0.60)	VDRUSP2ST6GAL1CA1CA2
SCHEMBL23710378	0.89	CA1 (0.60)	VDRUSP2ST6GAL1CA1CA2
SCHEMBL22855503	0.89	CA1 (0.55)	VDRUSP2ST6GAL1CA1CA2
SCHEMBL10611670	0.88	CA1 (0.59)	VDRUSP2ST6GAL1CA1CA2
SCHEMBL22855051	0.88	CA1 (0.57)	VDRUSP2ST6GAL1CA1CA2
SCHEMBL22854970	0.88	VDR (0.84)	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.

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