SCHEMBL15555726

CCC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](C)[C@]2(OC(=O)CC)C(=O)SCF)[C@@H]2C[C@H](F)C3=CC(=O)C=C[C@]3(C)[C@@]12F.CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(=O)c3ccco3)C[C@@]21C

nearest known ligand 0.74

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	NR3C1	P04150	14/20	0.74

▸	PGR	P06401	5/20	0.74

▸	AR	P10275	5/20	0.74

▸	NR3C2	P08235	2/20	0.74

▸	PTGS1	P23219	2/20	0.74

▸	CNR1	P21554	1/20	0.74

▸	CYP3A4	P08684	5/20	0.70

▸	ADORA3	P0DMS8	3/20	0.70

▸	NR1I2	O75469	1/20	0.70

▸	CHRM1	P11229	1/20	0.55

▸	ADRA1A	P35348	1/20	0.55

▸	MEN1	O00255	1/20	0.48

▸	ALOX15	P16050	1/20	0.48

▸	KMT2A	Q03164	1/20	0.48

▸	HIF1A	Q16665	2/20	0.46

▸	CYP1A2	P05177	2/20	0.46

▸	SMN1; SMN2	Q16637	1/20	0.46

▸	ALDH1A1	P00352	1/20	0.46

▸	LMNA	P02545	1/20	0.43

▸	CYP2D6	P10635	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
SCHEMBL9468	0.99	NR3C1 (0.76)	NR3C1PGRARNR3C2PTGS1
SCHEMBL377593	0.95	NR3C1 (0.71)	NR3C1PGRARNR3C2PTGS1
Butanol SCHEMBL2067053	0.95	NR3C1 (0.71)	NR3C1PGRARNR3C2PTGS1
SCHEMBL158996	0.95	NR3C1 (0.70)	NR3C1PGRARNR3C2PTGS1
Dimethylformamide SCHEMBL378085	0.94	NR3C1 (0.70)	NR3C1PGRARNR3C2PTGS1
SCHEMBL4284	0.91	NR3C1 (0.83)	NR3C1PGRARNR3C2PTGS1
Alcohol SCHEMBL9363106	0.90	NR3C1 (0.81)	NR3C1PGRARNR3C2PTGS1
Acetone SCHEMBL14645259	0.90	NR3C1 (0.81)	NR3C1PGRARNR3C2PTGS1
SCHEMBL16474144	0.90	NR3C1 (0.82)	NR3C1PGRARNR3C2PTGS1
SCHEMBL13581363	0.89	NR3C1 (0.83)	NR3C1PGRARNR3C2PTGS1

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
WO-2014016548-A2	PHARMACEUTICAL COMPOSITION	CIPLA LIMITED (IN)	2014-01-30	—	—	WO	disclosed