SCHEMBL9766817

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(CC(=O)O)C3=CCC4C(C)(C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.53

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	HMGCR	P04035	2/20	0.53

▸	PTGES	O14684	2/20	0.46

▸	PTPN1	P18031	2/20	0.46

▸	ACLY	P53396	1/20	0.40

▸	ACACA	Q13085	1/20	0.40

▸	NFKB1	P19838	5/20	0.39

▸	NFKB2	Q00653	5/20	0.39

▸	RELA	Q04206	5/20	0.39

▸	NR1H4	Q96RI1	1/20	0.39

▸	CETP	P11597	2/20	0.38

▸	PTPN2	P17706	1/20	0.38

▸	EBP	Q15125	2/20	0.37

▸	PRKAG1	P54619	2/20	0.37

▸	PRKAA2	P54646	2/20	0.37

▸	PRKAB1	Q9Y478	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
SCHEMBL9766813	1.00	HMGCR (0.53)	HMGCRPTGESPTPN1ACLYACACA
SCHEMBL9644097	0.91	HMGCR (0.51)	HMGCRPTGESPTPN1ACLYACACA
SCHEMBL9766823	0.86	HMGCR (0.52)	HMGCRPTGESPTPN1ACLYACACA
SCHEMBL9769593	0.84	HMGCR (0.54)	HMGCRPTGESPTPN1ACLYACACA
SCHEMBL10698012	0.84	HMGCR (0.54)	HMGCRPTGESPTPN1ACLYACACA
SCHEMBL9769592	0.84	HMGCR (0.54)	HMGCRPTGESPTPN1ACLYACACA
SCHEMBL9766767	0.84	HMGCR (0.73)	HMGCRPTGESPTPN1ACLYACACA
SCHEMBL9766763	0.84	HMGCR (0.73)	HMGCRPTGESPTPN1ACLYACACA
SCHEMBL9769594	0.84	HMGCR (0.49)	HMGCRPTGESPTPN1ACLYACACA
SCHEMBL9769587	0.84	HMGCR (0.49)	HMGCRPTGESPTPN1ACLYACACA

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-5023250-A	Anticholesterol agents	SMITHKLINE BEECHAM CORPORATION (US)	1991-06-11	—	—	US	disclosed