SCHEMBL819232

Cc1cc(Cc2cc(N3C(=O)c4ccc([C@@](C)(c5ccc6c(c5)C(=O)N(C(C)(C)C)C6=O)C(F)(F)F)cc4C3=O)cc(N3C(=O)c4ccc([C@](C)(c5ccc6c(c5)C(=O)N(C(C)(C)C)C6=O)C(F)(F)F)cc4C3=O)c2)c(N2C(=O)c3ccc([C@](C)(c4ccc5c(c4)C(=O)N(C(C)(C)C)C5=O)C(F)(F)F)cc3C2=O)c(C)c1N1C(=O)c2ccc([C@@](C)(c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)C(F)(F)F)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CA9	Q16790	3/20	0.33

▸	CA12	O43570	2/20	0.33

▸	CA1	P00915	2/20	0.33

▸	CA2	P00918	1/20	0.32

▸	ANPEP	P15144	2/20	0.31

▸	DPP4	P27487	2/20	0.31

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
SCHEMBL15494009	0.83	ANPEP (0.32)	CA9CA12CA1CA2ANPEP
SCHEMBL818933	0.81	CA9 (0.42)	CA9CA12CA1CA2
SCHEMBL818647	0.77	CA9 (0.41)	CA9CA12CA1CA2
SCHEMBL14727030	0.71	ANPEP (0.36)	CA9CA12CA1CA2ANPEP
SCHEMBL16521140	0.71	ANPEP (0.36)	CA9CA12CA1CA2ANPEP
SCHEMBL26476964	0.70	CA9 (0.46)	CA9CA12CA1CA2
SCHEMBL18068730	0.70	ANPEP (0.33)	CA9CA12CA1CA2ANPEP
SCHEMBL819167	0.70	ANPEP (0.33)	CA9CA12CA1CA2ANPEP
SCHEMBL25119742	0.70	ANPEP (0.32)	CA9CA12CA1CA2ANPEP
SCHEMBL16521141	0.69	ANPEP (0.33)	CA9CA12CA1CA2ANPEP

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-8664335-B2	Thermally crosslinked polymeric compositions and methods of making the same	GEORGIA TECH RESEARCH CORPORATION (US)	2014-03-04	—	—	US	disclosed
US-20110269915-A1	THERMALLY CROSSLINKED POLYMERIC COMPOSITIONS AND METHODS OF MAKING THE SAME	GEORGIA TECH RESEARCH CORPORATION (US)	2011-11-03	—	—	US	disclosed