SCHEMBL31157759

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	6/20	0.46

▸	KMT2A	Q03164	1/20	0.44

▸	GRB2	P62993	1/20	0.41

▸	FDFT1	P37268	1/20	0.40

▸	BACE1	P56817	1/20	0.40

▸	TLR2	O60603	2/20	0.39

▸	IL23R	Q5VWK5	1/20	0.39

▸	MDM2	Q00987	1/20	0.39

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
SCHEMBL31157735	1.00	PTPN1 (0.46)	PTPN1KMT2AGRB2FDFT1BACE1
SCHEMBL31157692	1.00	PTPN1 (0.46)	PTPN1KMT2AGRB2FDFT1BACE1
SCHEMBL31157757	0.98	PTPN1 (0.47)	PTPN1KMT2AGRB2FDFT1BACE1
SCHEMBL31157631	0.98	PTPN1 (0.47)	PTPN1KMT2AGRB2FDFT1BACE1
SCHEMBL31157672	0.97	PTPN1 (0.46)	PTPN1KMT2AGRB2FDFT1BACE1
SCHEMBL31157704	0.97	PTPN1 (0.46)	PTPN1KMT2AGRB2FDFT1BACE1
SCHEMBL31157639	0.97	PTPN1 (0.43)	PTPN1KMT2AGRB2BACE1TLR2
SCHEMBL31157732	0.97	PTPN1 (0.47)	PTPN1KMT2AGRB2FDFT1TLR2
SCHEMBL31157734	0.97	PTPN1 (0.47)	PTPN1KMT2AGRB2FDFT1TLR2
SCHEMBL31157640	0.97	KMT2A (0.47)	PTPN1KMT2AGRB2FDFT1TLR2

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-3548510-B1	COMPOUNDS USEFUL FOR THE TREATMENT AND/OR CARE OF THE SKIN, HAIR, NAILS AND/OR MUCOUS MEMBRANES	LUBRIZOL ADVANCED MAT INC (US)	2024-10-02	—	—	EP	disclosed