SCHEMBL851375

CCOC(=O)CCCC1CCN(C(=O)c2cc(Oc3ccc(C(=N)N(O)C(C)=O)cc3)cc(Oc3ccc(C(=N)N(O)C(C)=O)cc3)c2)CC1.CCOC(=O)CCCC1CCN(C(=O)c2cc(Oc3ccc(C(=N)N)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	PRSS1	P07477	15/20	0.60

▸	PRSS2	P07478	15/20	0.60

▸	PRSS3	P35030	15/20	0.60

▸	ST14	Q9Y5Y6	15/20	0.60

▸	F2	P00734	12/20	0.60

▸	PLG	P00747	7/20	0.50

▸	F10	P00742	2/20	0.49

▸	PARP10	Q53GL7	1/20	0.45

▸	ITGB3	P05106	2/20	0.37

▸	ITGA2B	P08514	2/20	0.37

▸	TPSAB1	Q15661	1/20	0.36

▸	TPSD1	Q9BZJ3	1/20	0.36

▸	TPSG1	Q9NRR2	1/20	0.36

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
SCHEMBL851286	0.96	PRSS1 (0.53)	PRSS1PRSS2PRSS3ST14F2
SCHEMBL3794827	0.92	ST14 (0.71)	PRSS1PRSS2PRSS3ST14F2
SCHEMBL851140	0.82	PRSS1 (0.55)	PRSS1PRSS2PRSS3ST14F2
SCHEMBL851607	0.80	ST14 (0.77)	PRSS1PRSS2PRSS3ST14F2
SCHEMBL851919	0.79	ALDH1A1 (0.56)	PRSS1PRSS2PRSS3ST14F2
SCHEMBL852012	0.79	PRSS1 (0.51)	PRSS1PRSS2PRSS3ST14F2
SCHEMBL861314	0.76	ST14 (1.00)	PRSS1PRSS2PRSS3ST14F2
SCHEMBL860509	0.76	PRSS1 (0.52)	PRSS1PRSS2PRSS3ST14F2
SCHEMBL851129	0.74	PRSS1 (0.69)	PRSS1PRSS2PRSS3ST14F2
SCHEMBL851639	0.73	ST14 (0.86)	PRSS1PRSS2PRSS3ST14F2

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-2432556-A1	PROTEASE INHIBITORS	Orion Corporation (FI)	2012-03-28	—	—	EP	disclosed