SCHEMBL8540975

SCHEMBL8540975

COC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.39
GALR3 O60755 2/20 0.36
NR2F2 P24468 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP2 P08253 1/20 0.36
CPB1 P15086 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
KLK5 Q9Y337 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 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
SCHEMBL8542865 1.00 RORC (0.39) RORCGALR3NR2F2TDP1KMT2A
SCHEMBL8544074 0.94 RORC (0.40) RORCGALR3NR2F2TDP1KMT2A
SCHEMBL8544068 0.94 RORC (0.40) RORCGALR3NR2F2TDP1KMT2A
SCHEMBL8544783 0.94 RORC (0.40) RORCGALR3NR2F2TDP1KMT2A
SCHEMBL8543998 0.80 RAB9A (0.49) RORCKMT2AL3MBTL1MMP2CPB1
SCHEMBL8537512 0.80 RAB9A (0.49) RORCKMT2AL3MBTL1MMP2CPB1
SCHEMBL9435466 0.79 CCNE2 (0.47) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL21520375 0.76 MMP2 (0.49) RORCKMT2AL3MBTL1MMP2CPB1
SCHEMBL21520377 0.76 MMP2 (0.49) RORCKMT2AL3MBTL1MMP2CPB1
SCHEMBL12164621 0.76 MMP2 (0.49) RORCKMT2AL3MBTL1MMP2CPB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646595-B1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1998-11-04 EP disclosed
EP-0646595-A1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1995-04-05 EP disclosed