SCHEMBL10074278

COc1ccc(COC[C@@H](NC(=O)OC(C)(C)C)[C@H](OC(C)=O)C(=O)NCC(C)(C)CNC(=O)CC(CNC(=O)OC(C)(C)C)Cc2cc(F)ccc2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CACNA1B	Q00975	1/20	0.35

▸	PTPN1	P18031	1/20	0.33

▸	SCN9A	Q15858	2/20	0.33

▸	CTSS	P25774	4/20	0.32

▸	CTSK	P43235	3/20	0.32

▸	REN	P00797	2/20	0.32

▸	PPARA	Q07869	2/20	0.32

▸	PPARG	P37231	1/20	0.31

▸	CTSD	P07339	2/20	0.30

▸	GPR119	Q8TDV5	1/20	0.30

▸	MMP1	P03956	1/20	0.30

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
SCHEMBL10075282	0.91	CACNA1B (0.36)	CACNA1BPTPN1SCN9ACTSSCTSK
SCHEMBL10077515	0.91	CACNA1B (0.36)	CACNA1BPTPN1SCN9ACTSSCTSK
SCHEMBL10074290	0.84	CTSS (0.40)	PTPN1SCN9ACTSSCTSKREN
SCHEMBL10074282	0.84	CTSS (0.40)	PTPN1SCN9ACTSSCTSKREN
SCHEMBL10075284	0.84	CTSS (0.40)	PTPN1SCN9ACTSSCTSKREN
SCHEMBL10077061	0.83	CACNA1B (0.36)	CACNA1BPTPN1SCN9ACTSSCTSK
SCHEMBL10074143	0.83	CACNA1B (0.36)	CACNA1BPTPN1SCN9ACTSSCTSK
SCHEMBL10077510	0.83	CACNA1B (0.36)	CACNA1BPTPN1SCN9ACTSSCTSK
SCHEMBL10074992	0.82	CTSS (0.38)	PTPN1SCN9ACTSSCTSKREN
SCHEMBL10074470	0.82	SYK (0.40)	PTPN1SCN9ACTSSCTSKREN

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-2418196-A1	Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors	IMTM GmbH (DE)	2012-02-15	—	—	EP	disclosed