SCHEMBL5994628

CCc1cc(C(C)(C)C)cc(C(C)(C)C)c1C(OP(OC(c1c(CC)cc(C(C)(C)C)cc1C(C)(C)C)c1c(CC)cc(C(C)(C)C)cc1C(C)(C)C)OC(c1c(CC)cc(C(C)(C)C)cc1C(C)(C)C)c1c(CC)cc(C(C)(C)C)cc1C(C)(C)C)c1c(CC)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CYP2C19	P33261	2/20	0.33

▸	CYP1A2	P05177	1/20	0.33

▸	CYP3A4	P08684	1/20	0.33

▸	CYP2C9	P11712	1/20	0.33

▸	TSHR	P16473	1/20	0.33

▸	NR5A2	O00482	1/20	0.31

▸	NR5A1	Q13285	1/20	0.31

▸	RARG	P13631	1/20	0.30

▸	RXRA	P19793	1/20	0.30

▸	PPARG	P37231	1/20	0.30

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
SCHEMBL5994632	0.88	CYP2C19 (0.34)	CYP2C19CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL76615	0.80	POLB (0.35)	CYP2C19CYP1A2CYP2C9
SCHEMBL7111340	0.72	RXRA (0.34)	CYP2C19CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL1859057	0.69	POLB (0.34)	CYP2C19CYP1A2CYP2C9
SCHEMBL13368066	0.68	RXRA (0.40)	CYP2C19CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2186175	0.68	RXRA (0.33)	CYP2C19CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL29421158	0.68	CYP1A2 (0.34)	CYP2C19CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL39337	0.68	CYP1A2 (0.34)	CYP2C19CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL8028498	0.67	HSPA5 (0.55)	CYP2C19CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL29404283	0.67	HSPA5 (0.55)	CYP2C19CYP1A2CYP3A4CYP2C9TSHR

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-20060051478-A1	Antioxidant for fats,oils and food	CIBA SPECIALTY CHEMICALS CORP.	2006-03-09	—	—	US	disclosed