SCHEMBL8546324

SCHEMBL8546324

COc1ccccc1COc1cccc(C(=O)C(CC(C)C(=O)O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NR4A2 P43354 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.41
MAOB P27338 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALKBH1 Q13686 1/20 0.41
GPR132 Q9UNW8 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL7907477 0.85 PARP14 (0.44) PARP14PARP10GAAHPGDNPC1
SCHEMBL7907473 0.85 PARP14 (0.44) PARP14PARP10GAAHPGDNPC1
SCHEMBL7908127 0.85 MAOB (0.59) NR4A2MEN1KMT2AMAOBGPR132
SCHEMBL8546321 0.84 GAA (0.45) PARP14PARP10GAAHPGDNPC1
SCHEMBL8546267 0.82 MAOB (0.53) RAB9ANR4A2KMT2AMAOBGPR132
SCHEMBL8549883 0.82 MAOB (0.53) NR4A2KMT2AMAOBGPR132
SCHEMBL8551283 0.79 MAOB (0.55) NR4A2MEN1KMT2AMAOBGPR132
SCHEMBL8550373 0.78 MAOB (0.55) NR4A2MEN1KMT2AMAOBGPR132
SCHEMBL8545446 0.77 MAOB (0.46) HPGDNPC1RAB9AMAOB
SCHEMBL8548526 0.76 MAOB (0.53) NR4A2MEN1KMT2AMAOBGPR132

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-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed