SCHEMBL19389433

O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCCC(=O)NC(CO)CCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	FOLH1	Q04609	2/20	0.58

▸	ALB	P02768	2/20	0.57

▸	CA1	P00915	10/20	0.54

▸	CA2	P00918	10/20	0.54

▸	CA9	Q16790	10/20	0.54

▸	CA12	O43570	6/20	0.54

▸	CA14	Q9ULX7	2/20	0.53

▸	CA7	P43166	2/20	0.53

▸	HTR3A	P46098	2/20	0.47

▸	FKBP1A	P62942	2/20	0.47

▸	ADORA3	P0DMS8	1/20	0.47

▸	ADORA2A	P29274	1/20	0.47

▸	ADORA1	P30542	1/20	0.47

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
SCHEMBL10060089	0.96	FOLH1 (0.61)	FOLH1ALBCA1CA2CA9
SCHEMBL31380586	0.96	FOLH1 (0.61)	FOLH1ALBCA1CA2CA9
SCHEMBL20529844	0.96	FOLH1 (0.61)	FOLH1ALBCA1CA2CA9
SCHEMBL18807599	0.96	FOLH1 (0.61)	FOLH1ALBCA1CA2CA9
SCHEMBL22100260	0.92	FOLH1 (0.59)	FOLH1ALBCA1CA2CA9
SCHEMBL13012837	0.90	CA9 (0.60)	FOLH1ALBCA1CA2CA9
SCHEMBL24403901	0.88	FOLH1 (0.55)	FOLH1ALBCA1CA2CA9
SCHEMBL20843781	0.87	FOLH1 (0.56)	FOLH1ALBCA1CA2CA9
SCHEMBL17245299	0.87	FOLH1 (0.56)	FOLH1ALBCA1CA2CA9
SCHEMBL13062332	0.87	CA9 (0.57)	FOLH1ALBCA1CA2CA9

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-3222617-A1	PSMA-TARGETING COMPOUNDS AND USES THEREOF	The Johns Hopkins University (US)	2017-09-27	—	—	EP	disclosed