Trifluoroacetic Acid

SCHEMBL7344968

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#Cc2ccc3cc(C(=N)N)ccc3c2)cc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	4/20	0.51

▸	ITGA2B	P08514	4/20	0.51

▸	PLAU	P00749	2/20	0.48

▸	PTPN1	P18031	3/20	0.47

▸	ACE	P12821	1/20	0.46

▸	ITGB1	P05556	1/20	0.46

▸	ITGAV	P06756	1/20	0.46

▸	ITGB5	P18084	1/20	0.46

▸	ASIC3	Q9UHC3	1/20	0.46

▸	PPARG	P37231	6/20	0.45

▸	PPARA	Q07869	6/20	0.45

▸	CTSS	P25774	2/20	0.45

▸	CTSK	P43235	2/20	0.45

▸	CTSB	P07858	1/20	0.45

▸	PPARD	Q03181	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
SCHEMBL7339140	0.97	PLAU (0.51)	ITGB3ITGA2BPLAUPTPN1ACE
SCHEMBL7344973	0.90	PLAU (0.45)	ITGB3ITGA2BPLAUPTPN1ITGB1
SCHEMBL7394806	0.82	ACE (0.58)	ITGB3ITGA2BACEITGB1ITGAV
SCHEMBL7394803	0.82	ACE (0.58)	ITGB3ITGA2BACEITGB1ITGAV
Hydrochloric Acid SCHEMBL5671540	0.81	ACE (0.57)	ITGB3ITGA2BACEITGB1ITGAV
Iodide SCHEMBL7301004	0.81	ACE (0.57)	ITGB3ITGA2BACEITGB1ITGAV
SCHEMBL7339150	0.79	ITGB3 (0.49)	ITGB3ITGA2BPTPN1ACEITGB1
SCHEMBL27231128	0.78	ACE (0.64)	ITGB3ITGA2BPTPN1ACEPPARG
Trifluoroacetic Acid SCHEMBL7335751	0.77	PLAU (0.80)	PLAUASIC3
SCHEMBL19174463	0.76	ITGB3 (0.60)	ITGB3ITGA2BPTPN1ACEITGB1

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-6284796-B1	NAPHTHAMIDINE COMPOUNDS	ABBOTT LABORATORIES	2001-09-04	—	—	US	disclosed