SCHEMBL6890596

CCC(ONC(=N)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1cc(C)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	11/20	0.39

▸	F10	P00742	3/20	0.39

▸	PRSS2	P07478	1/20	0.39

▸	ALDH1A1	P00352	2/20	0.38

▸	PKM	P14618	1/20	0.38

▸	MAPT	P10636	2/20	0.37

▸	TSHR	P16473	1/20	0.36

▸	CTRC	Q99895	1/20	0.36

▸	HTT	P42858	2/20	0.35

▸	LMNA	P02545	1/20	0.35

▸	GAA	P10253	1/20	0.35

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
SCHEMBL6888647	0.90	F2 (0.39)	F2F10PRSS2CTRCLMNA
SCHEMBL6884082	0.86	ALDH1A1 (0.37)	F2F10PRSS2ALDH1A1PKM
SCHEMBL6890602	0.78	F2 (0.39)	F2F10PRSS2ALDH1A1PKM
SCHEMBL6890605	0.77	F2 (0.52)	F2PRSS2CTRC
SCHEMBL7188554	0.77	F2 (0.36)	F2F10PRSS2CTRCLMNA
SCHEMBL6884087	0.74	F2 (0.39)	F2F10PRSS2ALDH1A1PKM
SCHEMBL6888564	0.73	NPC1 (0.39)	F2ALDH1A1MAPTHTTLMNA
SCHEMBL6890192	0.73	MAPK1 (0.37)	F2F10PRSS2ALDH1A1MAPT
SCHEMBL6764565	0.73	F2 (0.44)	F2F10PRSS2ALDH1A1CTRC
SCHEMBL6745876	0.72	F2 (0.52)	F2F10PRSS2ALDH1A1PKM

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
US-6730783-B2	REACTING AMINOGUANIDINE WITH CARBONYL COMPOUND TO FORM AMIDINOHYDRAZONE; REDUCTION; REACTING WITH ALKOXYAMINE; GUANIDINYLATION; ANTICOAGULANTS	3-DIMENSIONAL PHARMACEUTICALS, INC.	2004-05-04	—	—	US	disclosed