SCHEMBL9825335

SCHEMBL9825335

O=C(N[C@@H](Cc1c[nH]c2ccc(OC(=O)OCc3ccccc3)cc12)C(=O)NCC1CC(Br)=NO1)OCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.81
NMBR P28336 2/20 0.51
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.48
CA2 P00918 1/20 0.47
BMP1 P13497 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
ECE1 P42892 1/20 0.45

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
SCHEMBL14070447 0.91 TGM2 (0.86) TGM2NMBRMAPTGAAHTT
SCHEMBL4931009 0.91 TGM2 (0.86) TGM2NMBRMAPTGAAHTT
SCHEMBL4597486 0.91 TGM2 (0.86) TGM2NMBRMAPTGAAHTT
SCHEMBL4299691 0.89 TGM2 (1.00) TGM2NMBRMAPTGAAHTT
SCHEMBL1092215 0.89 TGM2 (0.83) TGM2NMBRMAPTGAAHTT
SCHEMBL1092213 0.89 TGM2 (0.83) TGM2NMBRMAPTGAAHTT
SCHEMBL5143184 0.89 TGM2 (0.83) TGM2NMBRMAPTGAAHTT
SCHEMBL4305321 0.85 TGM2 (1.00) TGM2NMBRMAPTGAAHTT
SCHEMBL4302162 0.83 TGM2 (1.00) TGM2NMBRMAPTGAAHTT
SCHEMBL4935366 0.83 TGM2 (0.73) TGM2NMBRMAPTGAAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP claimed
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP disclosed