SCHEMBL11248546

CC(CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C(C(=O)c5ccccc5)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.43

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	SRD5A2	P31213	4/20	0.43

▸	GPBAR1	Q8TDU6	3/20	0.42

▸	FNTA	P49354	1/20	0.39

▸	FNTB	P49356	1/20	0.39

▸	ACHE	P22303	2/20	0.39

▸	SRD5A1	P18405	2/20	0.38

▸	EBP	Q15125	2/20	0.38

▸	DHCR7	Q9UBM7	2/20	0.38

▸	BCHE	P06276	1/20	0.38

▸	PTPN1	P18031	1/20	0.37

▸	NPC1L1	Q9UHC9	1/20	0.37

▸	VDR	P11473	2/20	0.37

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
SCHEMBL11240580	1.00	SRD5A2 (0.43)	SRD5A2GPBAR1FNTAFNTBACHE
SCHEMBL11240576	0.85	GPBAR1 (0.45)	SRD5A2GPBAR1FNTAFNTBACHE
SCHEMBL11243498	0.84	SRD5A2 (0.59)	SRD5A2GPBAR1FNTAFNTBACHE
SCHEMBL11243490	0.84	SRD5A2 (0.59)	SRD5A2GPBAR1FNTAFNTBACHE
SCHEMBL11242975	0.79	CYP17A1 (0.50)	SRD5A2GPBAR1FNTAFNTBACHE
SCHEMBL11242981	0.79	CYP17A1 (0.50)	SRD5A2GPBAR1FNTAFNTBACHE
SCHEMBL11235253	0.75	CYP19A1 (0.51)	SRD5A2GPBAR1SRD5A1
SCHEMBL11235256	0.75	CYP19A1 (0.51)	SRD5A2GPBAR1SRD5A1
SCHEMBL9822553	0.75	SRD5A2 (0.59)	SRD5A2GPBAR1SRD5A1PTPN1NPC1L1
SCHEMBL9782796	0.75	SRD5A2 (0.59)	SRD5A2GPBAR1SRD5A1PTPN1NPC1L1

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
US-4317817-A	SKIN DISORDERS; ACEME; ENZYME INHIBITORS	RICHARDSON-MERRELL INC. (US)	1982-03-02	—	—	US	disclosed