SCHEMBL8061818

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12C1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@]3(C3CC(=O)C=C4CC[C@@H]5[C@H]([C@@H](O)C[C@@]6(C)[C@H]5CC[C@]6(O)C(=O)CO)[C@]43C)[C@]21C

nearest known ligand 0.59

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	HIF1A	Q16665	10/20	0.59

▸	HSD17B10	Q99714	6/20	0.59

▸	NR3C1	P04150	5/20	0.59

▸	CYP2C19	P33261	5/20	0.59

▸	SERPINA6	P08185	5/20	0.59

▸	PGR	P06401	4/20	0.59

▸	CYP3A4	P08684	4/20	0.59

▸	SMN1; SMN2	Q16637	3/20	0.59

▸	NR3C2	P08235	2/20	0.59

▸	KMT2A	Q03164	2/20	0.59

▸	SHBG	P04278	2/20	0.59

▸	MAPT	P10636	1/20	0.59

▸	NFKB1	P19838	1/20	0.59

▸	ALDH1A1	P00352	1/20	0.51

▸	MAPK1	P28482	1/20	0.51

▸	AR	P10275	2/20	0.51

▸	ABCB11	O95342	1/20	0.51

▸	TNF	P01375	1/20	0.51

▸	IL6	P05231	1/20	0.51

▸	GLUL	P15104	1/20	0.51

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
SCHEMBL6370137	1.00	HIF1A (0.59)	HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL94105	0.96	HIF1A (0.63)	HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL28318620	0.94	HIF1A (0.60)	HIF1AHSD17B10NR3C1CYP2C19SERPINA6
Butyric Acid SCHEMBL28142317	0.91	HIF1A (0.57)	HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL7766720	0.88	HIF1A (0.55)	HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL7973569	0.87	NR3C2 (0.63)	HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL24461	0.86	SERPINA6 (0.57)	HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL2981243	0.85	HSD17B10 (0.60)	HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL10949810	0.84	NR3C1 (0.54)	HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL2330386	0.83	NR3C1 (0.59)	HIF1AHSD17B10NR3C1CYP2C19SERPINA6

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-2579852-A1	A PHARMACEUTICAL SPRAY COMPOSITION COMPRISING A VITAMIN D ANALOGUE AND A CORTICOSTEROID	Leo Pharma A/S (DK)	2013-04-17	—	—	EP	disclosed
US-6117450-A	SELECTING A PREDETERMINED NUMBER OF AT LEAST THREE OF FOUR COMPRESSED COMPOSITIONS CONTAINING AN EFFECTIVE INGREDIENT OR COMBINATION DEFINED BY THEIR RELEASE	JENAPHARM GMBH & CO. KG (DE)	2000-09-12	—	—	US	disclosed