Calusterone

SCHEMBL5323303

CS(=O)(=O)OCCCCOS(C)(=O)=O.C[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12.C[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	SHBG	P04278	4/20	0.76

▸	ALDH1A1	P00352	2/20	0.61

▸	AR	P10275	11/20	0.55

▸	CYP19A1	P11511	1/20	0.54

▸	NR3C1	P04150	1/20	0.51

▸	PGR	P06401	1/20	0.51

▸	ADRA1A	P35348	1/20	0.51

▸	HTR2B	P41595	1/20	0.51

▸	MEN1	O00255	1/20	0.43

▸	KMT2A	Q03164	1/20	0.43

▸	TDP1	Q9NUW8	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
Bolasterone SCHEMBL4945157	0.87	SHBG (1.00)	SHBGALDH1A1ARCYP19A1NR3C1
Bolasterone SCHEMBL10904938	0.87	SHBG (1.00)	SHBGALDH1A1ARCYP19A1NR3C1
Bolasterone SCHEMBL145066	0.87	SHBG (1.00)	SHBGALDH1A1ARCYP19A1NR3C1
Bolasterone SCHEMBL5656551	0.87	SHBG (1.00)	SHBGALDH1A1ARCYP19A1NR3C1
Calusterone SCHEMBL4509	0.87	SHBG (1.00)	SHBGALDH1A1ARCYP19A1NR3C1
Bolasterone SCHEMBL11876760	0.87	SHBG (1.00)	SHBGALDH1A1ARCYP19A1NR3C1
SCHEMBL8340651	0.79	SHBG (0.82)	SHBGALDH1A1ARCYP19A1NR3C1
SCHEMBL8340653	0.79	SHBG (0.82)	SHBGALDH1A1ARCYP19A1NR3C1
SCHEMBL9542907	0.78	SHBG (0.64)	SHBGALDH1A1ARCYP19A1NR3C1
SCHEMBL9542643	0.78	SHBG (0.64)	SHBGALDH1A1ARCYP19A1NR3C1

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-2007103288-A2	ENGINEERED ANTIBODY DRUG CONJUGATES	SEATTLE GENETICS, INC. (US)	2007-09-13	—	—	WO	disclosed