SCHEMBL3285828

CCC(=CC#CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(OCc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	VDR	P11473	3/20	0.49

▸	MAOB	P27338	11/20	0.37

▸	NR4A2	P43354	2/20	0.33

▸	NR4A1	P22736	1/20	0.33

▸	NR4A3	Q92570	1/20	0.33

▸	MAOA	P21397	3/20	0.32

▸	HDAC1	Q13547	1/20	0.32

▸	HDAC6	Q9UBN7	1/20	0.32

▸	HDAC5	Q9UQL6	1/20	0.32

▸	F2	P00734	1/20	0.31

▸	SMPD1	P17405	1/20	0.31

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
SCHEMBL3285825	1.00	VDR (0.49)	VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3280269	1.00	VDR (0.49)	VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3280274	0.89	VDR (0.44)	VDR
SCHEMBL3283547	0.89	VDR (0.44)	VDR
SCHEMBL3283554	0.89	VDR (0.44)	VDR
SCHEMBL3280271	0.87	VDR (0.48)	VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3280117	0.85	VDR (0.67)	VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3280110	0.85	VDR (0.67)	VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3280113	0.85	VDR (0.67)	VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3279689	0.82	VDR (0.73)	VDRMAOBNR4A2NR4A1NR4A3

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
US-7700657-B2	Vitamin D analogs	GALDERMA RESEARCH & DEVELOPMENT (FR)	2010-04-20	—	—	US	disclosed
US-20040224929-A1	Novel vitamin D analogs	GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR)	2004-11-11	—	—	US	disclosed