SCHEMBL8544783

SCHEMBL8544783

CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)O)N(C(=O)Cn2cnc3c(NC(=O)OCc4ccccc4)ncnc32)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.40
GALR3 O60755 2/20 0.37
NR2F2 P24468 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
ADORA1 P30542 1/20 0.35
SLC29A1 Q99808 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
SCHEMBL8544068 1.00 RORC (0.40) RORCGALR3NR2F2TDP1KMT2A
SCHEMBL8544074 1.00 RORC (0.40) RORCGALR3NR2F2TDP1KMT2A
SCHEMBL8542865 0.94 RORC (0.39) RORCGALR3NR2F2TDP1KMT2A
SCHEMBL8540975 0.94 RORC (0.39) RORCGALR3NR2F2TDP1KMT2A
SCHEMBL9435466 0.80 CCNE2 (0.47) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL8544305 0.79 RAB9A (0.51) RORCKMT2AL3MBTL1
SCHEMBL8544306 0.79 RAB9A (0.51) RORCKMT2AL3MBTL1
SCHEMBL22911317 0.76 KMT2A (0.51) RORCKMT2AL3MBTL1PDE4B
SCHEMBL21519998 0.76 KMT2A (0.51) RORCKMT2AL3MBTL1PDE4B
SCHEMBL3870357 0.76 KMT2A (0.51) RORCKMT2AL3MBTL1PDE4B

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