SCHEMBL8401145

C=C1/C(=C\C=C2CCC[C@]3(C)[C@@H]([C@H](C)C(O)CC(=O)N(C(C)C)C(C)C)CC[C@@H]23)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	VDR	P11473	7/20	0.48

▸	ADORA3	P0DMS8	2/20	0.44

▸	SLC6A2	P23975	2/20	0.44

▸	NR1I2	O75469	1/20	0.44

▸	PGR	P06401	1/20	0.44

▸	HTR1A	P08908	1/20	0.44

▸	SLC6A4	P31645	1/20	0.44

▸	ADRA1A	P35348	1/20	0.44

▸	PTGS2	P35354	1/20	0.44

▸	AGTR1	P30556	1/20	0.43

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
SCHEMBL8400106	1.00	VDR (0.48)	VDRADORA3SLC6A2NR1I2PGR
SCHEMBL8397390	0.88	VDR (0.51)	VDRADORA3SLC6A2NR1I2PGR
SCHEMBL8973892	0.85	VDR (0.51)	VDRADORA3SLC6A2NR1I2PGR
SCHEMBL8400073	0.85	VDR (0.49)	VDRADORA3SLC6A2NR1I2PGR
SCHEMBL8401174	0.85	VDR (0.49)	VDRADORA3SLC6A2NR1I2PGR
SCHEMBL8616073	0.85	VDR (0.67)	VDRADORA3SLC6A2NR1I2PGR
SCHEMBL8971842	0.84	VDR (0.57)	VDRADORA3SLC6A2NR1I2PGR
SCHEMBL8927522	0.83	VDR (0.51)	VDRADORA3SLC6A2NR1I2PGR
SCHEMBL8397635	0.83	VDR (0.50)	VDRADORA3SLC6A2NR1I2PGR
SCHEMBL8398764	0.82	VDR (0.70)	VDRADORA3SLC6A2NR1I2PGR

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-0751932-B1	VITAMIN-D AMIDE DERIVATIVES	RES INST MEDICINE CHEM (US)	1999-06-09	—	—	EP	disclosed
US-5811562-A	Vitamin-D amide derivatives	RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC. (US)	1998-09-22	—	—	US	disclosed