SCHEMBL8119338

SCHEMBL8119338

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ CA1 P00915 6/20 0.38
▸ CA2 P00918 6/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ NPSR1 Q6W5P4 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CA12 O43570 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TPSAB1 Q15661 2/20 0.36
▸ TPSD1 Q9BZJ3 2/20 0.36
▸ TPSG1 Q9NRR2 2/20 0.36
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP9 P14780 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
SCHEMBL8126609 0.94 MAPT (0.38) MAPTCA1CA2MEN1KMT2A
SCHEMBL8114739 0.87 MEN1 (0.39) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL8120866 0.87 MAPT (0.41) MAPTCA1CA2MEN1KMT2A
SCHEMBL4651776 0.87 CNR1 (0.35) —
SCHEMBL8123228 0.85 HDAC1 (0.43) MAPTCA1CA2MEN1KMT2A
SCHEMBL1388307 0.84 CNR1 (0.35) MEN1KMT2ATPSAB1
Hydrochloric Acid SCHEMBL8118676 0.83 CNR1 (0.35) MEN1KMT2ATPSAB1
SCHEMBL8125929 0.82 CALCRL (0.39) MEN1KMT2ATDP1
SCHEMBL8120102 0.82 MEN1 (0.38) MAPTCA1CA2MEN1KMT2A
SCHEMBL8119637 0.80 CNR1 (0.34) —

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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