SCHEMBL7980817

CC(C)(C)[Si](C)(C)OCC(O)Cc1ccccn1.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(Cc3ccccn3)C(O[SiH](C)C)C(C)(C)C)[C@H](C)[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	ESR1	P03372	1/20	0.34

▸	PTGS1	P23219	1/20	0.34

▸	PDE4A	P27815	1/20	0.34

▸	CACNA1C	Q13936	1/20	0.33

▸	ABCC2	Q92887	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
SCHEMBL7980819	0.87	ESR1 (0.37)	ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL7983032	0.79	CACNA1C (0.37)	ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL7982997	0.76	ESR1 (0.45)	ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL7986868	0.76	ESR1 (0.45)	ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL7982994	0.76	ESR1 (0.45)	ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL7980828	0.76	FAP (0.34)	ESR1PTGS1PDE4A
SCHEMBL7982708	0.74	ESR1 (0.43)	ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL7983024	0.72	CACNA1C (0.38)	ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL10440442	0.71	ESR1 (0.44)	ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL7969323	0.67	PTPRA (0.44)	PTGS1

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-6174877-B1	EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES	TAKEDA CHEMICAL INDUSTRIES, LTD. (JP)	2001-01-16	—	—	US	disclosed