Trifluoroacetic Acid

SCHEMBL6685619

C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)C)C(=O)NCCC#N.O=C(O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TUBB1	Q9H4B7	2/20	0.42

▸	CTSC	P53634	2/20	0.39

▸	OPRK1	P41145	9/20	0.38

▸	ANPEP	P15144	1/20	0.36

▸	RNPEP	Q9H4A4	1/20	0.36

▸	DNPEP	Q9ULA0	1/20	0.36

▸	CTSS	P25774	2/20	0.35

▸	CTSL	P07711	1/20	0.35

▸	CTSB	P07858	1/20	0.35

▸	CTSK	P43235	1/20	0.35

▸	OPRM1	P35372	1/20	0.35

▸	OPRD1	P41143	1/20	0.35

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 SCHEMBL6685615	0.88	TUBB1 (0.43)	TUBB1CTSSCTSLCTSBCTSK
Trifluoroacetic Acid SCHEMBL6806874	0.87	TUBB1 (0.57)	TUBB1CTSSCTSL
SCHEMBL6802822	0.82	TUBB1 (0.61)	TUBB1CTSSCTSLCTSBCTSK
SCHEMBL6670337	0.78	TUBB1 (0.47)	TUBB1CTSCOPRK1
SCHEMBL6670340	0.78	TUBB1 (0.47)	TUBB1CTSCOPRK1
SCHEMBL6801949	0.76	TUBB1 (0.62)	TUBB1OPRK1
Trifluoroacetic Acid SCHEMBL6809618	0.75	TUBB1 (0.60)	TUBB1
Trifluoroacetic Acid SCHEMBL6674546	0.73	TUBB1 (0.64)	TUBB1
Trifluoroacetic Acid SCHEMBL6674557	0.73	TUBB1 (0.64)	TUBB1
SCHEMBL22309062	0.73	TUBB1 (0.57)	TUBB1

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
WO-2004026293-A2	HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS	WYETH HOLDINGS CORPORATION (US)	2004-04-01	—	—	WO	disclosed