SCHEMBL8544306

SCHEMBL8544306

CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)O)N(C(=O)Cn2ccc(NC(=O)OCc3ccccc3)nc2=O)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
ABL1 P00519 2/20 0.43
RIN1 Q13671 2/20 0.43
RORC P51449 6/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACE P12821 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
GRIN2B Q13224 1/20 0.34
SYK P43405 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
AGTR2 P50052 1/20 0.34
TLR4 O00206 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
SCHEMBL8544305 1.00 RAB9A (0.51) RAB9AABL1RIN1RORCKMT2A
SCHEMBL8537512 0.94 RAB9A (0.49) RAB9AABL1RIN1RORCKMT2A
SCHEMBL8543998 0.94 RAB9A (0.49) RAB9AABL1RIN1RORCKMT2A
SCHEMBL8544068 0.79 RORC (0.40) RORCKMT2AL3MBTL1
SCHEMBL8544783 0.79 RORC (0.40) RORCKMT2AL3MBTL1
SCHEMBL8544074 0.79 RORC (0.40) RORCKMT2AL3MBTL1
SCHEMBL8581017 0.79 RAB9A (0.57) RAB9AABL1RIN1SYK
SCHEMBL22911317 0.78 KMT2A (0.51) RORCKMT2AL3MBTL1ACEALDH1A1
SCHEMBL21519998 0.78 KMT2A (0.51) RORCKMT2AL3MBTL1ACEALDH1A1
SCHEMBL3870357 0.78 KMT2A (0.51) RORCKMT2AL3MBTL1ACEALDH1A1

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