SCHEMBL2830487

CC(OCC1CO1)Oc1c(C(C)(C)CC(C)(C)C)cc(CCc2cc(C(C)(C)CC(C)(C)C)c(OC(C)OCC3CO3)c(C(C)(C)CC(C)(C)C)c2)cc1C(C)(C)CC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	2/20	0.30

▸	TP53	P04637	2/20	0.30

▸	MAPT	P10636	2/20	0.30

▸	HPGD	P15428	2/20	0.30

▸	TSHR	P16473	2/20	0.30

▸	MEN1	O00255	1/20	0.30

▸	CYP1A2	P05177	1/20	0.30

▸	KMT2A	Q03164	1/20	0.30

▸	PPARG	P37231	1/20	0.30

▸	HIF1A	Q16665	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
SCHEMBL2831548	0.93	ALDH1A1 (0.30)	ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL2829931	0.90	TSHR (0.34)	ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL2833479	0.89	ALDH1A1 (0.31)	ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL2834204	0.88	TP53 (0.38)	ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL2835746	0.87	ALDH1A1 (0.33)	ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL2832898	0.82	ALDH1A1 (0.40)	ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL2833769	0.81	ALDH1A1 (0.31)	ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL2833430	0.80	ALDH1A1 (0.33)	ALDH1A1TP53MAPTHPGDTSHR
SCHEMBL2830346	0.79	ALDH1A1 (0.34)	ALDH1A1TP53TSHRHIF1A
SCHEMBL2831807	0.79	TSHR (0.35)	ALDH1A1TP53MAPTHPGDTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20100160555-A1	RESIN COMPOSITION	SUMITOMO CHEMICAL COMPANY, LIMITED (JP)	2010-06-24	—	—	US	disclosed
EP-2133380-A1	RESIN COMPOSITION	Sumitomo Chemical Company, Limited (JP)	2009-12-16	—	—	EP	disclosed