Sugi Predict

Sugi Predict / Compounds / SCHEMBL5754117

SCHEMBL5754117

SCHEMBL5754117

COc1ccc(CC(SCC2CCCC2)C(CNC(=O)c2ccccc2O)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 4/20 0.42
▸ SRC P12931 1/20 0.39
▸ REN P00797 9/20 0.37
▸ KLK5 Q9Y337 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL5756196 0.93 CACNA1B (0.38) CACNA1BSRCKLK5ALDH1A1LMNA
SCHEMBL5754577 0.92 REN (0.39) RENKLK5ATMKMT2A
SCHEMBL5758360 0.90 PSMB1 (0.45) CACNA1BREN
SCHEMBL5756303 0.90 KMT2A (0.37) CACNA1BSRCALDH1A1LMNAATM
SCHEMBL5756667 0.89 REN (0.38) CACNA1BRENATMKMT2A
SCHEMBL5756321 0.88 CACNA1B (0.51) CACNA1BRENALDH1A1KMT2A
SCHEMBL5759242 0.87 KDM4E (0.41) CACNA1BALDH1A1LMNAKMT2A
SCHEMBL5755757 0.87 KDM4E (0.41) CACNA1BALDH1A1LMNAKMT2A
SCHEMBL5752573 0.87 KDM4E (0.41) CACNA1BALDH1A1LMNAKMT2A
SCHEMBL5753257 0.87 MEN1 (0.43) ALDH1A1LMNAKMT2A

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-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 — — EP claimed