SCHEMBL30361583

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	8/20	0.43

▸	SIRT5	Q9NXA8	3/20	0.41

▸	FURIN	P09958	2/20	0.39

▸	CASP1	P29466	1/20	0.38

▸	CASP3	P42574	1/20	0.38

▸	CASP7	P55210	1/20	0.38

▸	CASP9	P55211	1/20	0.38

▸	GRB2	P62993	1/20	0.38

▸	SSTR3	P32745	1/20	0.38

▸	SIRT1	Q96EB6	3/20	0.37

▸	SIRT2	Q8IXJ6	2/20	0.37

▸	SIRT3	Q9NTG7	2/20	0.37

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
SCHEMBL22442662	1.00	PTPN1 (0.43)	PTPN1SIRT5FURINCASP1CASP3
SCHEMBL22442664	1.00	PTPN1 (0.43)	PTPN1SIRT5FURINCASP1CASP3
SCHEMBL2734925	0.94	HTR2A (0.40)	PTPN1SIRT5FURINCASP3SSTR3
SCHEMBL12944195	0.94	HTR2A (0.40)	PTPN1SIRT5FURINCASP3SSTR3
SCHEMBL29579452	0.94	HTR2A (0.40)	PTPN1SIRT5FURINCASP3SSTR3
SCHEMBL12094377	0.94	HTR2A (0.40)	PTPN1SIRT5FURINCASP3SSTR3
SCHEMBL13830646	0.94	HTR2A (0.40)	PTPN1SIRT5FURINCASP3SSTR3
SCHEMBL19731720	0.94	HTR2A (0.40)	PTPN1SIRT5FURINCASP3SSTR3
SCHEMBL29414597	0.94	HTR2A (0.40)	PTPN1SIRT5FURINCASP3SSTR3
SCHEMBL13110590	0.94	HTR2A (0.40)	PTPN1SIRT5FURINCASP3SSTR3

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-4161966-A1	ANTI-BCMA ANTIBODY-DRUG CONJUGATES AND METHODS OF USE	Eisai R&D Management Co., Ltd. (JP)	2023-04-12	—	—	EP	disclosed