Trifluoroacetic Acid

SCHEMBL9359281

Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(C#CCN)c(=O)[nH]c3=O)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	RNASE1	P07998	1/20	0.52

▸	TYMS	P04818	1/20	0.40

▸	TERT	O14746	2/20	0.38

▸	CA12	O43570	2/20	0.38

▸	CA1	P00915	2/20	0.38

▸	CA2	P00918	2/20	0.38

▸	CA5A	P35218	2/20	0.38

▸	CA7	P43166	2/20	0.38

▸	CA9	Q16790	2/20	0.38

▸	CA5B	Q9Y2D0	2/20	0.38

▸	TK1	P04183	1/20	0.38

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
SCHEMBL8949961	0.95	RNASE1 (0.55)	RNASE1TYMSTERTCA12CA1
SCHEMBL9633553	0.86	RNASE1 (0.57)	RNASE1TYMSTERTCA12CA1
SCHEMBL10768161	0.85	RNASE1 (0.56)	RNASE1TYMSTERTCA12CA1
SCHEMBL9811645	0.85	RNASE1 (0.56)	RNASE1TYMSTERTCA12CA1
SCHEMBL9811642	0.84	RNASE1 (0.59)	RNASE1TYMSTERTCA12CA1
SCHEMBL8950041	0.83	RNASE1 (0.49)	RNASE1TYMS
SCHEMBL20799750	0.82	RNASE1 (0.58)	RNASE1TYMSTERTCA12CA1
SCHEMBL17747115	0.81	RNASE1 (0.40)	RNASE1TK1
SCHEMBL30698170	0.80	RNASE1 (0.61)	RNASE1TYMSTERTCA12CA1
SCHEMBL6542150	0.80	RNASE1 (0.61)	RNASE1TYMSTERTCA12CA1

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
EP-0366685-B1	NUCLEOSIDE DERIVATIVES	FLOREY HOWARD INST (AU)	1994-10-19	—	—	EP	disclosed