Trifluoroacetic Acid

SCHEMBL4863566

CN[C@H](C(=O)N(C)[C@H](C(=O)N[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)NC(=O)[C@H]1CCCN1Cc1ccccc1)C(C)C)C(C)(C)C)C(C)(C)c1cccc(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	XIAP	P98170	5/20	0.34

▸	ELANE	P08246	3/20	0.34

▸	CTSG	P08311	1/20	0.34

▸	TACR1	P25103	2/20	0.33

▸	CMA1	P23946	4/20	0.33

▸	CNR2	P34972	1/20	0.33

▸	NPSR1	Q6W5P4	1/20	0.32

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
Trifluoroacetic Acid SCHEMBL4372676	0.89	TUBB1 (0.45)	XIAPELANECTSGTACR1CMA1
SCHEMBL4374039	0.85	TUBB1 (0.48)	XIAPCNR2NPSR1
SCHEMBL4365738	0.81	TUBB1 (0.49)	XIAPCNR2NPSR1
SCHEMBL4366648	0.80	TUBB1 (0.53)	XIAPELANETACR1CNR2NPSR1
SCHEMBL4368774	0.79	TUBB1 (0.49)	XIAPCNR2NPSR1
SCHEMBL6245060	0.79	TUBB1 (0.42)	ELANE
Trifluoroacetic Acid SCHEMBL4372672	0.77	TUBB1 (0.44)	XIAPELANETACR1
Trifluoroacetic Acid SCHEMBL4852413	0.76	TUBB1 (0.51)	XIAPELANECMA1
Trifluoroacetic Acid SCHEMBL4852391	0.76	TUBB1 (0.51)	XIAPELANECMA1
SCHEMBL4374034	0.73	TUBB1 (0.46)	TACR1

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-7390910-B2	Compounds for treating tumors	WYETH (US)	2008-06-24	—	—	US	disclosed