SCHEMBL5754716

SCHEMBL5754716

COc1ccc(CC(SCC2CCCCC2)C(CNC(=O)c2ccccc2O)NC(=O)C2CCC(OC)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PSMB8 P28062 2/20 0.35
PSMB5 P28074 2/20 0.35
PSMB9 P28065 1/20 0.35
CACNA1B Q00975 2/20 0.35
P2RX7 Q99572 1/20 0.34
POLB P06746 1/20 0.34
PTPN1 P18031 1/20 0.34
GHSR Q92847 1/20 0.34
REN P00797 1/20 0.34

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
SCHEMBL5755757 0.95 KDM4E (0.41) ACACBKDM4EMEN1LMNAHTT
SCHEMBL5759242 0.95 KDM4E (0.41) ACACBKDM4EMEN1LMNAHTT
SCHEMBL5752573 0.95 KDM4E (0.41) ACACBKDM4EMEN1LMNAHTT
SCHEMBL5757202 0.94 KDM4E (0.41) ACACBKDM4EMEN1LMNAHTT
SCHEMBL5752594 0.93 REN (0.40) ACACBKDM4EMEN1LMNAHTT
SCHEMBL5754926 0.91 ALDH1A1 (0.43) ACACBKDM4EMEN1LMNAHTT
SCHEMBL5756303 0.88 KMT2A (0.37) ACACBKDM4EMEN1LMNAHTT
SCHEMBL5753257 0.87 MEN1 (0.43) MEN1LMNAKMT2AALDH1A1POLB
SCHEMBL5753466 0.86 ALDH1A1 (0.42) ACACBKDM4EKMT2AALDH1A1POLB
SCHEMBL5757305 0.85 REN (0.41) MEN1KMT2AALDH1A1PSMB8CACNA1B

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