SCHEMBL8114739

SCHEMBL8114739

CC(C)(C)OC(=O)NCCC[C@H](C(N)=O)N(Cc1cc(Cl)c(N)c(Cl)c1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ GAA P10253 1/20 0.39
▸ STK17B O94768 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ UTS2R Q9UKP6 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ CXCR1 P25024 1/20 0.36
▸ CXCR2 P25025 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.35

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
SCHEMBL8119338 0.87 MAPT (0.38) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL4650701 0.86 CNR1 (0.35) TACR1
SCHEMBL8120102 0.84 MEN1 (0.38) MEN1KMT2AGAAALDH1A1UTS2R
SCHEMBL8126609 0.84 MAPT (0.38) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL8120866 0.84 MAPT (0.41) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL8123228 0.82 HDAC1 (0.43) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL9196210 0.82 TACR1 (0.36) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL8112794 0.81 F2 (0.33) ALDH1A1
SCHEMBL1259156 0.80 MEN1 (0.50) MEN1KMT2AGAAMMP1MMP3
SCHEMBL8586561 0.78 NPSR1 (0.37) MEN1KMT2AGAAALDH1A1LMNA

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
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
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