SCHEMBL23716495

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

nearest known ligand 0.49

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CA9	Q16790	13/20	0.49

▸	CA1	P00915	12/20	0.49

▸	CA2	P00918	12/20	0.49

▸	CA12	O43570	6/20	0.49

▸	FOLH1	Q04609	3/20	0.49

▸	CA14	Q9ULX7	2/20	0.49

▸	CA7	P43166	2/20	0.49

▸	ALB	P02768	1/20	0.47

▸	ELF3	P78545	1/20	0.46

▸	MED23	Q9ULK4	1/20	0.46

▸	HTRA2	O43464	1/20	0.45

▸	HTRA1	Q92743	1/20	0.45

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	1.00	CA9 (0.49)	CA9CA1CA2CA12FOLH1
SCHEMBL13062142	1.00	CA9 (0.49)	CA9CA1CA2CA12FOLH1
SCHEMBL14306441	0.98	CA9 (0.50)	CA9CA1CA2CA12FOLH1
SCHEMBL22639566	0.97	CA9 (0.49)	CA9CA1CA2CA12FOLH1
SCHEMBL13946827	0.96	FOLH1 (0.47)	CA9CA1CA2CA12FOLH1
SCHEMBL13062140	0.95	CA9 (0.52)	CA9CA1CA2CA12FOLH1
SCHEMBL21982700	0.95	ALB (0.47)	CA9CA1CA2CA12FOLH1
SCHEMBL20078569	0.95	CA9 (0.51)	CA9CA1CA2CA12FOLH1
SCHEMBL19354955	0.94	CA9 (0.52)	CA9CA1CA2CA12FOLH1
SCHEMBL23118947	0.93	CA9 (0.49)	CA9CA1CA2CA12FOLH1

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-3858347-A2	PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING	Purdue Research Foundation (US)	2021-08-04	—	—	EP	disclosed