Chlormadinone Acetate

SCHEMBL20770976

CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C.OCC(O)CO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PGR

The experimentally established mechanism targets of Chlormadinone Acetate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	PGR known ✓	P06401	7/20	0.79

▸	AR	P10275	7/20	0.79

▸	CYP3A4	P08684	7/20	0.79

▸	NR3C1	P04150	7/20	0.79

▸	SMN1; SMN2	Q16637	5/20	0.79

▸	NPSR1	Q6W5P4	4/20	0.79

▸	MAPK1	P28482	3/20	0.79

▸	HIF1A	Q16665	3/20	0.79

▸	ALDH1A1	P00352	3/20	0.79

▸	CHRM2	P08172	3/20	0.79

▸	CHRM1	P11229	3/20	0.79

▸	USP2	O75604	2/20	0.79

▸	ADORA3	P0DMS8	2/20	0.79

▸	THRB	P10828	1/20	0.79

▸	TBXA2R	P21731	1/20	0.79

▸	CYP2C19	P33261	1/20	0.79

▸	ADRA1A	P35348	1/20	0.79

▸	LMNA	P02545	6/20	0.64

▸	MEN1	O00255	4/20	0.64

▸	KMT2A	Q03164	4/20	0.64

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
Chlormadinone Acetate SCHEMBL11795531	0.89	AR (1.00)	ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL15046	0.89	AR (1.00)	ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL1460594	0.89	AR (1.00)	ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL40360	0.89	AR (1.00)	ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL4948575	0.89	AR (1.00)	ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL29430402	0.89	AR (1.00)	ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL1460593	0.89	AR (1.00)	ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL23908022	0.88	AR (0.98)	ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL1250000	0.82	AR (0.82)	ARCYP3A4NR3C1PGRSMN1; SMN2
Chlormadinone Acetate SCHEMBL9572032	0.81	CYP3A4 (0.80)	ARCYP3A4NR3C1PGRSMN1; SMN2

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-2019046303-A1	A METHOD FOR PREDICTING A SUBJECT'S RESPONSE TO SLC MODULATOR THERAPY	THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US)	2019-03-07	—	—	WO	disclosed