SCHEMBL8377383

C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)NC(c3ccccc3)(C(F)(F)F)C(F)(F)F)CC[C@@H]12.C[C@]12CCC3C(CC[C@H]4NC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccccc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.88

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	SRD5A1	P18405	17/20	0.88

▸	SRD5A2	P31213	9/20	0.88

▸	LMNA	P02545	2/20	0.64

▸	CYP3A4	P08684	2/20	0.64

▸	CYP2C9	P11712	2/20	0.64

▸	CYP2C19	P33261	2/20	0.64

▸	ABCC4	O15439	1/20	0.64

▸	ABCB11	O95342	1/20	0.64

▸	ADORA3	P0DMS8	1/20	0.64

▸	CHRM1	P11229	1/20	0.64

▸	HSD3B1	P14060	1/20	0.64

▸	NFKB1	P19838	1/20	0.64

▸	MAPK1	P28482	1/20	0.64

▸	THPO	P40225	1/20	0.64

▸	BLM	P54132	1/20	0.64

▸	AR	P10275	1/20	0.59

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
SCHEMBL7523351	0.94	SRD5A1 (1.00)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7523345	0.94	SRD5A1 (1.00)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7524913	0.92	SRD5A2 (0.72)	SRD5A1SRD5A2AR
SCHEMBL7524919	0.92	SRD5A2 (0.72)	SRD5A1SRD5A2AR
SCHEMBL8072086	0.88	SRD5A1 (0.88)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8072089	0.88	SRD5A1 (0.88)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7522489	0.87	SRD5A1 (0.86)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8072585	0.87	SRD5A1 (0.86)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7522482	0.87	SRD5A1 (0.86)	SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8072591	0.87	SRD5A1 (0.86)	SRD5A1SRD5A2LMNACYP3A4CYP2C9

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-0902790-A1	PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN	PHARMACIA & UPJOHN S.p.A. (IT)	1999-03-24	—	—	EP	disclosed
WO-1997040062-A1	PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN	PHARMACIA & UPJOHN S.P.A. (IT)	1997-10-30	—	—	WO	disclosed