SCHEMBL6849075

CC[Si](CC)(CC)OC1(COC(=O)[C@@H](C)[C@H]2CC[C@H]3/C(=C/C=C4C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@]23C)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	VDR	P11473	13/20	0.44

▸	HDAC3	O15379	3/20	0.40

▸	HDAC6	Q9UBN7	3/20	0.40

▸	HDAC2	Q92769	2/20	0.40

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
SCHEMBL6850576	0.99	VDR (0.43)	VDRHDAC3HDAC6HDAC2
SCHEMBL6849080	0.99	VDR (0.43)	VDRHDAC3HDAC6HDAC2
SCHEMBL6851130	0.93	VDR (0.43)	VDRHDAC3HDAC6HDAC2
SCHEMBL6852073	0.92	VDR (0.42)	VDRHDAC3HDAC6HDAC2
SCHEMBL6850743	0.92	VDR (0.42)	VDRHDAC3HDAC6HDAC2
SCHEMBL6850383	0.88	VDR (0.42)	VDR
SCHEMBL6846411	0.86	VDR (0.49)	VDRHDAC3HDAC6HDAC2
SCHEMBL6849332	0.86	VDR (0.48)	VDRHDAC3HDAC6HDAC2
SCHEMBL6850730	0.85	VDR (0.49)	VDRHDAC3HDAC6HDAC2
SCHEMBL6850393	0.83	VDR (0.49)	VDRHDAC3HDAC6HDAC2

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0805682-B1	DERMATOLOGICAL USE OF VITAMIN D DERIVATIVES	BASILEA PHARMACEUTICA AG (CH)	2004-08-11	—	—	EP	disclosed
US-5827883-A	TOPICAL DRUG DELIVERY; SIDE EFFECT REDUCTION	HOFFMANN-LA ROCHE INC. (US)	1998-10-27	—	—	US	disclosed