SCHEMBL6410134

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)CC=C(O)[C@@]45C[C@@]35CC[C@]12C.CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	GABRA1	P14867	1/20	0.58

▸	GABRB1	P18505	1/20	0.58

▸	GABRG2	P18507	1/20	0.58

▸	GABRB3	P28472	1/20	0.58

▸	GABRA5	P31644	1/20	0.58

▸	GABRA3	P34903	1/20	0.58

▸	GABRA2	P47869	1/20	0.58

▸	GABRA4	P48169	1/20	0.58

▸	NPC1L1	Q9UHC9	3/20	0.42

▸	USP2	O75604	2/20	0.42

▸	RORA	P35398	1/20	0.42

▸	MEN1	O00255	1/20	0.42

▸	ALOX15	P16050	1/20	0.42

▸	KMT2A	Q03164	1/20	0.42

▸	CYP19A1	P11511	4/20	0.40

▸	CDC25A	P30304	2/20	0.39

▸	NR1H3	Q13133	1/20	0.39

▸	CTSD	P07339	1/20	0.35

▸	TSHR	P16473	1/20	0.35

▸	TDP1	Q9NUW8	1/20	0.35

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
SCHEMBL21062720	0.78	GABRA1 (0.75)	GABRA1GABRB1GABRG2GABRB3GABRA5
SCHEMBL4321442	0.78	GABRA1 (0.75)	GABRA1GABRB1GABRG2GABRB3GABRA5
SCHEMBL8026697	0.78	ACLY (0.39)	CTSDTSHRTDP1F2POLB
SCHEMBL21837357	0.76	GABRA1 (1.00)	GABRA1GABRB1GABRG2GABRB3GABRA5
SCHEMBL21000413	0.76	GABRA1 (1.00)	GABRA1GABRB1GABRG2GABRB3GABRA5
SCHEMBL24425755	0.76	GABRA1 (1.00)	GABRA1GABRB1GABRG2GABRB3GABRA5
SCHEMBL2482339	0.76	GABRA1 (1.00)	GABRA1GABRB1GABRG2GABRB3GABRA5
SCHEMBL159792	0.75	EBP (0.47)	CDC25A
SCHEMBL6341662	0.72	HSD11B1 (0.45)	NR1H3
SCHEMBL377472	0.69	ACLY (0.38)	—

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-6846941-B2	Process for separating unsaponifiable valuable products from raw materials	RESITEC INDUSTRIA QUIMICA LTDA. (BR)	2005-01-25	—	—	US	claimed