Oxalic Acid

SCHEMBL6174693

COc1cc(Cc2c(-c3ccc(CCNC(C)=O)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1.O=C(O)C(=O)O

nearest known ligand 0.76

Known targets — ChEMBL curated mechanism

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	17/20	0.76

▸	MCHR1	Q99705	1/20	0.49

▸	ESR1	P03372	2/20	0.43

▸	ESR2	Q92731	2/20	0.43

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
SCHEMBL6172710	0.88	F2 (0.62)	F2MCHR1ESR1ESR2
SCHEMBL6597428	0.86	F2 (1.00)	F2ESR1ESR2
SCHEMBL7772398	0.86	F2 (1.00)	F2ESR1ESR2
SCHEMBL6173229	0.84	F2 (0.87)	F2ESR1ESR2
SCHEMBL6174701	0.84	F2 (0.83)	F2ESR1ESR2
SCHEMBL7985961	0.84	F2 (0.80)	F2ESR1ESR2
Oxalic Acid SCHEMBL7971937	0.84	F2 (0.79)	F2ESR1ESR2
Oxalic Acid SCHEMBL6173105	0.83	F2 (0.70)	F2
SCHEMBL7983358	0.83	F2 (0.79)	F2ESR1ESR2
SCHEMBL7773967	0.82	F2 (1.00)	F2ESR1ESR2

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
EP-1027051-B1	ANTITHROMBOTIC AGENTS	LILLY CO ELI (US)	2005-01-05	—	—	EP	disclosed
US-6391901-B1	Thrombin inhibitors	ELI LILLY AND COMPANY	2002-05-21	—	—	US	disclosed