SCHEMBL23447539

SCHEMBL23447539

COC(=O)C(Cc1ccc(O)c(C(C)(C)C)c1)NC(=O)[C@H](C)NC(=O)C(c1ccc(O)c(C(C)(C)C)c1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.39
▸ REN P00797 3/20 0.38
▸ KLK5 Q9Y337 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ THRB P10828 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MDM4 O15151 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ MME P08473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ XDH P47989 2/20 0.32
▸ LNPEP Q9UIQ6 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32

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
SCHEMBL22275832 0.82 MMP1 (0.43) RENKLK5TSHRALDH1A1THRB
SCHEMBL23447587 0.76 KLK5 (0.52) LCKKLK5MDM4MDM2
SCHEMBL23447565 0.75 LCK (0.50) LCKTSHRALDH1A1THRBCYP2C9
SCHEMBL29488615 0.75 REN (0.33) RENKLK5
SCHEMBL20556385 0.75 REN (0.33) RENKLK5
SCHEMBL15723421 0.75 REN (0.33) RENKLK5
SCHEMBL20556363 0.72 ESR1 (0.36) RENTSHRALDH1A1NPSR1MEN1
SCHEMBL20556364 0.72 ESR1 (0.36) RENTSHRALDH1A1NPSR1MEN1
SCHEMBL15723419 0.72 ESR1 (0.36) RENTSHRALDH1A1NPSR1MEN1
SCHEMBL30389215 0.72 REN (0.32) REN

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
WO-2021106000-A1 PROCESS FOR MAKING BIARYL-BRIDGED CYCLIC PEPTIDES B.G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2021-06-03 — — WO disclosed
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