SCHEMBL6697367 — predicted protein targets

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	CTSS	P25774	12/20	0.40

▸	CTSL	P07711	9/20	0.40

▸	CTSK	P43235	1/20	0.37

▸	MAOA	P21397	1/20	0.37

▸	MAOB	P27338	1/20	0.37

▸	XIAP	P98170	1/20	0.35

▸	MEN1	O00255	1/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	MMP1	P03956	1/20	0.34

▸	MMP2	P08253	1/20	0.34

▸	MMP3	P08254	1/20	0.34

▸	ALDH1A1	P00352	2/20	0.34

▸	HTT	P42858	1/20	0.34

▸	CYP1A2	P05177	1/20	0.34

▸	CYP2C9	P11712	1/20	0.34

▸	CYP2C19	P33261	1/20	0.34

▸	HSD17B10	Q99714	1/20	0.34

▸	BCHE	P06276	1/20	0.34

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
SCHEMBL6698597	0.86	CTSS (0.45)	CTSSCTSLCTSKMEN1KMT2A
SCHEMBL6689105	0.79	CTSS (0.66)	CTSSCTSLCTSK
SCHEMBL6688062	0.78	CTSS (0.40)	CTSSCTSLCTSKMMP1MMP2
SCHEMBL6690326	0.78	CTSS (0.45)	CTSSCTSLCTSKMMP1MMP2
SCHEMBL6693432	0.78	CTSS (0.41)	CTSSCTSLCTSKMMP1MMP2
SCHEMBL5352732	0.77	CTSS (0.65)	CTSSCTSLCTSK
SCHEMBL5352741	0.77	CTSS (0.65)	CTSSCTSLCTSK
SCHEMBL6689460	0.77	MMP3 (0.40)	CTSSCTSLMMP1MMP2MMP3
SCHEMBL5497651	0.76	CTSS (0.40)	CTSSCTSLCTSKMEN1KMT2A
SCHEMBL6696331	0.75	CTSS (0.37)	CTSSCTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2004112709-A2	INHIBITORS OF CATHEPSIN S	IRM LLC (BM)	2004-12-29	—	—	WO	claimed
WO-2004112709-A2	INHIBITORS OF CATHEPSIN S	IRM LLC (BM)	2004-12-29	—	—	WO	disclosed