SCHEMBL9826039

SCHEMBL9826039

COC1=NOC(CNC(=O)[C@H](Cc2c[nH]c3ccc(O)cc23)NC(=O)OCc2ccccc2)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.71
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
NMBR P28336 2/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
CA2 P00918 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
ECE1 P42892 1/20 0.46

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
SCHEMBL9826300 0.93 TGM2 (0.68) TGM2MAPTLMNANMBRGAA
SCHEMBL14070447 0.90 TGM2 (0.86) TGM2MAPTLMNANMBRGAA
SCHEMBL4931009 0.90 TGM2 (0.86) TGM2MAPTLMNANMBRGAA
SCHEMBL4597486 0.90 TGM2 (0.86) TGM2MAPTLMNANMBRGAA
SCHEMBL4935366 0.90 TGM2 (0.73) TGM2MAPTLMNANMBRGAA
SCHEMBL9825642 0.87 TGM2 (0.57) TGM2MAPTLMNANMBRGAA
SCHEMBL9825344 0.85 TGM2 (0.66) TGM2
SCHEMBL9825817 0.85 TGM2 (0.66) TGM2
SCHEMBL9825843 0.85 TGM2 (0.64) TGM2MAPTLMNANMBRGAA
SCHEMBL9826024 0.84 TGM2 (0.79) TGM2

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 4 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 disclosed
US-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 US disclosed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 US disclosed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP disclosed