SCHEMBL5755757

SCHEMBL5755757

COc1ccc(CC(SCC2CCCCC2)C(CNC(=O)c2ccccc2O)NC(=O)C2CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 1/20 0.39
CACNA1B Q00975 2/20 0.39
ALDH1A1 P00352 2/20 0.38
PTPN1 P18031 1/20 0.37
P2RX7 Q99572 2/20 0.37
POLB P06746 1/20 0.36
PSMB8 P28062 2/20 0.36
PSMB5 P28074 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HPGD P15428 1/20 0.36
PSMB9 P28065 1/20 0.36
GHSR Q92847 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
SCHEMBL5752573 1.00 KDM4E (0.41) KDM4EMEN1LMNAHTTKMT2A
SCHEMBL5759242 1.00 KDM4E (0.41) KDM4EMEN1LMNAHTTKMT2A
SCHEMBL5757202 0.99 KDM4E (0.41) KDM4EMEN1LMNAHTTKMT2A
SCHEMBL5754926 0.95 ALDH1A1 (0.43) KDM4EMEN1LMNAHTTKMT2A
SCHEMBL5754716 0.95 ACACB (0.39) KDM4EMEN1LMNAHTTKMT2A
SCHEMBL5752594 0.95 REN (0.40) KDM4EMEN1LMNAHTTKMT2A
SCHEMBL5753257 0.90 MEN1 (0.43) MEN1LMNAKMT2AALDH1A1POLB
SCHEMBL5756303 0.90 KMT2A (0.37) KDM4EMEN1LMNAHTTKMT2A
SCHEMBL5753466 0.89 ALDH1A1 (0.42) KDM4EKMT2AACACBALDH1A1POLB
SCHEMBL5757305 0.89 REN (0.41) MEN1KMT2ACACNA1BALDH1A1P2RX7

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