SCHEMBL8529684

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/C(=O)C4(OC(=O)NCCCC)CC4)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 0.46

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	VDR	P11473	19/20	0.46

▸	HTR1A	P08908	2/20	0.41

▸	NR1I2	O75469	1/20	0.41

▸	PGR	P06401	1/20	0.41

▸	ADORA3	P0DMS8	1/20	0.41

▸	SLC6A2	P23975	1/20	0.41

▸	SLC6A4	P31645	1/20	0.41

▸	ADRA1A	P35348	1/20	0.41

▸	PTGS2	P35354	1/20	0.41

▸	ABCB1	P08183	1/20	0.40

▸	DRD2	P14416	1/20	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
SCHEMBL9257285	1.00	VDR (0.46)	VDRHTR1ANR1I2PGRADORA3
SCHEMBL9001060	0.91	VDR (0.47)	VDRHTR1ANR1I2PGRADORA3
SCHEMBL9262895	0.90	VDR (0.47)	VDRHTR1ANR1I2PGRADORA3
SCHEMBL8526612	0.89	VDR (0.47)	VDRHTR1ANR1I2PGRADORA3
SCHEMBL8188845	0.89	VDR (0.46)	VDRHTR1ANR1I2PGRADORA3
SCHEMBL8705616	0.89	VDR (0.46)	VDRHTR1ANR1I2PGRADORA3
SCHEMBL8527098	0.89	VDR (0.46)	VDRHTR1ANR1I2PGRADORA3
SCHEMBL8193233	0.87	VDR (0.45)	VDRHTR1ANR1I2PGRADORA3
SCHEMBL6060311	0.87	VDR (0.49)	VDRHTR1ANR1I2PGRADORA3
SCHEMBL6060632	0.86	VDR (0.48)	VDRHTR1ANR1I2PGRADORA3

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