SCHEMBL7319787

COC(=O)[C@@H]1[C@@H](CCCNC(=NC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N1S(=O)(=O)c1cccc2c(N(C)C)cccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TGM2	P21980	12/20	0.45

▸	TYMS	P04818	2/20	0.38

▸	HDAC6	Q9UBN7	3/20	0.37

▸	HDAC3	O15379	2/20	0.37

▸	HDAC1	Q13547	2/20	0.37

▸	HDAC2	Q92769	2/20	0.37

▸	NCOR2	Q9Y618	2/20	0.37

▸	HDAC4	P56524	1/20	0.34

▸	HDAC10	Q969S8	1/20	0.34

▸	HDAC5	Q9UQL6	1/20	0.34

▸	ELANE	P08246	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
SCHEMBL7313381	0.98	TGM2 (0.46)	TGM2TYMSHDAC6HDAC3HDAC1
SCHEMBL7312881	0.85	TGM2 (0.49)	TGM2TYMSHDAC6HDAC3HDAC1
SCHEMBL7373560	0.84	ELANE (0.37)	TGM2ELANE
SCHEMBL7373562	0.84	ELANE (0.37)	TGM2ELANE
SCHEMBL7311564	0.83	FOLH1 (0.43)	ELANE
SCHEMBL7311558	0.83	FOLH1 (0.43)	ELANE
Hydrochloric Acid SCHEMBL7347401	0.79	TGM2 (0.42)	TGM2HDAC6HDAC4HDAC10HDAC5
SCHEMBL7371476	0.78	FOLH1 (0.40)	TGM2ELANE
SCHEMBL7371479	0.78	FOLH1 (0.40)	TGM2ELANE
SCHEMBL7317256	0.77	TGM2 (0.43)	TGM2HDAC6HDAC4HDAC10HDAC5

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
US-5110812-A	Treatment of pancreatitis; anticoagulants	BRISTOL-MYERS SQUIBB CO. (US)	1992-05-05	—	—	US	claimed
US-5326863-A	Antithrombin and antitrypsin activity	BRISTOL-MYERS SQUIBB COMPANY (US)	1994-07-05	—	—	US	disclosed