Trifluoroacetic Acid

SCHEMBL28635685

CC(C)C(OC(N)=O)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	HTR2A	P28223	1/20	0.43

▸	SSTR3	P32745	1/20	0.40

▸	TGM2	P21980	1/20	0.39

▸	PDF	Q9HBH1	1/20	0.37

▸	SIRT5	Q9NXA8	2/20	0.36

▸	ALDH1A1	P00352	1/20	0.36

▸	MAPK1	P28482	1/20	0.36

▸	L3MBTL1	Q9Y468	1/20	0.36

▸	SIRT2	Q8IXJ6	7/20	0.35

▸	SIRT1	Q96EB6	7/20	0.35

▸	SIRT3	Q9NTG7	3/20	0.35

▸	NPY4R	P50391	1/20	0.35

▸	CHIT1	Q13231	1/20	0.34

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
SCHEMBL28354225	0.95	HTR2A (0.47)	HTR2ASSTR3TGM2PDFSIRT5
SCHEMBL28354223	0.95	HTR2A (0.47)	HTR2ASSTR3TGM2PDFSIRT5
SCHEMBL28635684	0.90	HTR2A (0.41)	HTR2ASSTR3TGM2PDFSIRT5
Trifluoroacetic Acid SCHEMBL21814518	0.90	HTR2A (0.44)	HTR2ASSTR3TGM2PDFSIRT5
SCHEMBL32667911	0.88	HTR2A (0.44)	HTR2ASSTR3TGM2PDFALDH1A1
SCHEMBL26241697	0.86	HTR2A (0.50)	HTR2ASSTR3TGM2PDFSIRT5
SCHEMBL15631789	0.86	HTR2A (0.49)	HTR2ASSTR3TGM2PDFALDH1A1
SCHEMBL31009020	0.86	HTR2A (0.49)	HTR2ASSTR3TGM2PDFALDH1A1
SCHEMBL15528820	0.85	HTR2A (0.47)	HTR2ASSTR3TGM2PDFSIRT5
SCHEMBL15528822	0.85	HTR2A (0.47)	HTR2ASSTR3TGM2PDFSIRT5

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
CN-113453724-A	Sulfonylmaleimide-based linkers and corresponding conjugates	皮埃尔法布雷医药公司	2021-09-28	—	—	CN	disclosed