SCHEMBL13946827

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)NCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	FOLH1	Q04609	2/20	0.47

▸	CA9	Q16790	9/20	0.47

▸	CA1	P00915	8/20	0.47

▸	CA2	P00918	8/20	0.47

▸	CA12	O43570	6/20	0.47

▸	CA14	Q9ULX7	2/20	0.47

▸	CA7	P43166	1/20	0.47

▸	ELF3	P78545	2/20	0.46

▸	MED23	Q9ULK4	2/20	0.46

▸	RPA1	P27694	4/20	0.45

▸	HTRA2	O43464	1/20	0.45

▸	HTRA1	Q92743	1/20	0.45

▸	ALB	P02768	1/20	0.45

▸	FKBP1A	P62942	1/20	0.44

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
SCHEMBL21335460	0.96	CA9 (0.49)	FOLH1CA9CA1CA2CA12
SCHEMBL23716495	0.96	CA9 (0.49)	FOLH1CA9CA1CA2CA12
SCHEMBL13062142	0.96	CA9 (0.49)	FOLH1CA9CA1CA2CA12
SCHEMBL14306441	0.94	CA9 (0.50)	FOLH1CA9CA1CA2CA12
SCHEMBL22639566	0.94	CA9 (0.49)	FOLH1CA9CA1CA2CA12
SCHEMBL13062140	0.92	CA9 (0.52)	FOLH1CA9CA1CA2CA12
SCHEMBL21982700	0.92	ALB (0.47)	FOLH1CA9CA1CA2CA12
SCHEMBL20078569	0.92	CA9 (0.51)	FOLH1CA9CA1CA2CA12
SCHEMBL19354955	0.90	CA9 (0.52)	FOLH1CA9CA1CA2CA12
SCHEMBL23118947	0.90	CA9 (0.49)	FOLH1CA9CA1CA2CA12

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
WO-2009026177-A1	PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING	PURDUE RESEARCH FOUNDATION (US)	2009-02-26	—	—	WO	disclosed