SCHEMBL8527608

C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)/C=C/C(O)C(C)(C)OC(=O)OCCCC)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	VDR	P11473	11/20	0.56

▸	NR1I2	O75469	1/20	0.46

▸	PGR	P06401	1/20	0.46

▸	HTR1A	P08908	1/20	0.46

▸	ADORA3	P0DMS8	1/20	0.46

▸	SLC6A2	P23975	1/20	0.46

▸	SLC6A4	P31645	1/20	0.46

▸	ADRA1A	P35348	1/20	0.46

▸	PTGS2	P35354	1/20	0.46

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
SCHEMBL8526158	1.00	VDR (0.56)	VDRNR1I2PGRHTR1AADORA3
SCHEMBL8527389	1.00	VDR (0.56)	VDRNR1I2PGRHTR1AADORA3
SCHEMBL8527340	0.98	VDR (0.54)	VDRNR1I2PGRHTR1AADORA3
SCHEMBL8527510	0.98	VDR (0.54)	VDRNR1I2PGRHTR1AADORA3
SCHEMBL8526929	0.98	VDR (0.54)	VDRNR1I2PGRHTR1AADORA3
SCHEMBL9180668	0.96	VDR (0.51)	VDRNR1I2PGRHTR1AADORA3
SCHEMBL8529295	0.96	VDR (0.51)	VDRNR1I2PGRHTR1AADORA3
SCHEMBL9256283	0.94	VDR (0.54)	VDRNR1I2PGRHTR1AADORA3
SCHEMBL8529548	0.94	VDR (0.54)	VDRNR1I2PGRHTR1AADORA3
SCHEMBL8528480	0.94	VDR (0.54)	VDRNR1I2PGRHTR1AADORA3

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
EP-0663902-B1	25-CARBOXYLIC ACID DERIVATIVES IN THE VITAMIN D SERIES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN THE MANUFACTURE OF MEDICINES	SCHERING AG (DE)	1998-03-11	—	—	EP	disclosed