SCHEMBL5754267

SCHEMBL5754267

CC1(C)N[C@H](C(=O)NC(CNC(=O)c2ccccc2O)C(Cc2ccc([N+](=O)[O-])cc2)SCC2CCCCC2)CS1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
EPHX1 P07099 2/20 0.32
CACNA1G O43497 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KCNMA1 Q12791 1/20 0.31
USP21 Q9UK80 1/20 0.31
GSK3B P49841 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
CCR3 P51677 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5753443 0.88 GSK3B (0.33) L3MBTL1EPHX1CACNA1GKDM4ELMNA
SCHEMBL5755568 0.85 CACNA1B (0.35) L3MBTL1EPHX1KDM4ELMNAMAPT
SCHEMBL5755092 0.84 EPHX1 (0.32) L3MBTL1EPHX1KDM4ELMNAMAPT
SCHEMBL5757142 0.82 ALDH1A1 (0.42) L3MBTL1EPHX1MAPTHTTALDH1A1
SCHEMBL5756658 0.80 CACNA1B (0.39) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5755160 0.80 EPHX1 (0.33) L3MBTL1EPHX1KDM4ELMNAMAPT
SCHEMBL5756516 0.79 CCR3 (0.34) L3MBTL1EPHX1KDM4ELMNAMAPT
SCHEMBL5759489 0.79 MCL1 (0.34) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5754339 0.78 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL5752525 0.78 BACE1 (0.32) L3MBTL1KDM4ELMNAMAPTHTT

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