SCHEMBL28635684

SCHEMBL28635684

CC(C)[C@H](OC(=O)NOC(=O)C(F)(F)F)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.41
▸ SSTR3 P32745 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ PDF Q9HBH1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SIRT5 Q9NXA8 2/20 0.34
▸ MGLL Q99685 2/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ SIRT2 Q8IXJ6 6/20 0.33
▸ SIRT1 Q96EB6 5/20 0.33
▸ SIRT3 Q9NTG7 3/20 0.33
▸ ELANE P08246 1/20 0.33

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.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL28635685 0.90 HTR2A (0.43) HTR2ASSTR3TGM2PDFALDH1A1
SCHEMBL28354223 0.89 HTR2A (0.47) HTR2ASSTR3TGM2PDFALDH1A1
SCHEMBL28354225 0.89 HTR2A (0.47) HTR2ASSTR3TGM2PDFALDH1A1
SCHEMBL21814517 0.87 HTR2A (0.42) HTR2ASSTR3TGM2PDFALDH1A1
SCHEMBL26241697 0.85 HTR2A (0.50) HTR2ASSTR3TGM2PDFALDH1A1
SCHEMBL15631789 0.84 HTR2A (0.49) HTR2ASSTR3TGM2PDFALDH1A1
SCHEMBL31009020 0.84 HTR2A (0.49) HTR2ASSTR3TGM2PDFALDH1A1
Trifluoroacetic Acid SCHEMBL21814518 0.84 HTR2A (0.44) HTR2ASSTR3TGM2PDFALDH1A1
SCHEMBL28510132 0.83 HTR2A (0.47) HTR2ASSTR3TGM2PDFALDH1A1
SCHEMBL28510133 0.83 HTR2A (0.47) HTR2ASSTR3TGM2PDFALDH1A1

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.

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