SCHEMBL7873019

CC(C)(C)c1cc(C(C)(C)C)c2cc(C(OP(O)O)c3cc4c(C(C)(C)C)cc(C(C)(C)C)cc4cc3C(C)(C)C)c(C(C)(C)C)cc2c1.c1ccc2c(OP(Oc3cccc4ccccc34)Oc3cccc4ccccc34)cccc2c1

nearest known ligand 0.33

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KDM4E	B2RXH2	1/20	0.32

▸	ALDH1A1	P00352	1/20	0.32

▸	HSD17B10	Q99714	1/20	0.32

▸	MAPK14	Q16539	1/20	0.30

▸	PTGES	O14684	1/20	0.30

▸	ALOX5	P09917	1/20	0.30

▸	CYP1A2	P05177	1/20	0.30

▸	CYP3A4	P08684	1/20	0.30

▸	CYP2C9	P11712	1/20	0.30

▸	TSHR	P16473	1/20	0.30

▸	CYP2C19	P33261	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
SCHEMBL7873027	0.84	KDM4E (0.33)	KDM4EALDH1A1HSD17B10MAPK14CYP1A2
SCHEMBL2917484	0.83	CYP1A2 (0.31)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29585883	0.83	CYP1A2 (0.31)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7212870	0.73	ALDH1A1 (0.36)	KDM4EALDH1A1HSD17B10MAPK14
SCHEMBL7873022	0.72	KDM4E (0.33)	KDM4EALDH1A1HSD17B10MAPK14CYP1A2
SCHEMBL9169775	0.70	NR1I2 (0.33)	ALDH1A1HSD17B10
SCHEMBL30913902	0.69	HSP90AA1 (0.30)	CYP3A4
SCHEMBL29696268	0.68	CYP1A2 (0.32)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL2918869	0.68	CYP1A2 (0.32)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30967276	0.68	ALDH1A1 (0.36)	ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9

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-6310260-B1	Separation processes	UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION	2001-10-30	—	—	US	disclosed