Trifluoroacetic Acid

SCHEMBL8906608

CCCc1nc2ccc(NC(=O)N3CCCC3)cc2n1-c1cccc(-c2ccccc2C(=O)O)c1C.O=C(O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	AGTR1	P30556	2/20	0.40

▸	AGTR2	P50052	2/20	0.40

▸	PPARG	P37231	9/20	0.40

▸	RAB9A	P51151	2/20	0.39

▸	KDM4E	B2RXH2	1/20	0.39

▸	ALDH1A1	P00352	1/20	0.39

▸	GLA	P06280	1/20	0.39

▸	GAA	P10253	1/20	0.39

▸	HPGD	P15428	1/20	0.39

▸	KLK7	P49862	1/20	0.39

▸	SMN1; SMN2	Q16637	1/20	0.39

▸	HSD17B10	Q99714	1/20	0.39

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 SCHEMBL8905363	0.95	AGTR1 (0.45)	AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8906610	0.89	SMN1; SMN2 (0.44)	RAB9AKDM4EALDH1A1GLAGAA
Trifluoroacetic Acid SCHEMBL8907161	0.87	RAB9A (0.40)	RAB9AKDM4EALDH1A1GLAGAA
Trifluoroacetic Acid SCHEMBL8906600	0.85	RAB9A (0.39)	AGTR1AGTR2PPARGRAB9AKDM4E
Trifluoroacetic Acid SCHEMBL9094559	0.81	PPARG (0.64)	AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL8907108	0.81	AGTR1 (0.48)	AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8906988	0.81	AGTR2 (0.52)	AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8905360	0.81	AGTR1 (0.40)	AGTR1AGTR2RAB9AKDM4EALDH1A1
SCHEMBL8393627	0.79	AGTR1 (0.48)	AGTR1AGTR2
SCHEMBL8905454	0.76	PPARG (0.42)	PPARG

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-5684029-A	HYPOTENSIVE AGENTS	KARL THOMAE GMBH (DE)	1997-11-04	—	—	US	disclosed