SCHEMBL18950840

CC(C)(C)OC(=O)Oc1c(C(C)(C)C)cc(CCC(=O)OCCN2C(=O)N(CCOC(=O)CCc3cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c3)C(O)N(CCOC(=O)CCc3cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c3)C2=O)cc1C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	VCAM1	P19320	3/20	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
SCHEMBL21258916	0.85	GAA (0.43)	—
SCHEMBL17546596	0.83	VCAM1 (0.34)	VCAM1
SCHEMBL17171726	0.80	VCAM1 (0.38)	VCAM1
SCHEMBL17546542	0.79	GAA (0.39)	VCAM1
SCHEMBL17171727	0.79	VCAM1 (0.39)	VCAM1
SCHEMBL19103204	0.78	VCAM1 (0.36)	VCAM1
SCHEMBL19103203	0.78	VCAM1 (0.38)	VCAM1
SCHEMBL16790504	0.77	VCAM1 (0.38)	VCAM1
SCHEMBL17171730	0.77	CYP4F2 (0.43)	VCAM1
SCHEMBL17171708	0.76	DGKA (0.40)	VCAM1

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
EP-3178905-A1	ANTIOXIDANT FOR THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION INCLUDING SAME	Adeka Corporation (JP)	2017-06-14	—	—	EP	disclosed