SCHEMBL8546321

SCHEMBL8546321

COC(=O)CCC(C(=O)c1cccc(OCc2ccccc2OC)c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NR4A2 P43354 1/20 0.42
ATM Q13315 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 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 0.92 PARP14 (0.44) GAAHPGDSPHK2SPHK1PARP14
SCHEMBL7907473 0.92 PARP14 (0.44) GAAHPGDSPHK2SPHK1PARP14
SCHEMBL8543419 0.86 MAOB (0.55) NR4A2MEN1KMT2A
SCHEMBL8546324 0.84 PARP14 (0.44) GAAHPGDSPHK2SPHK1PARP14
SCHEMBL8546264 0.83 MAOB (0.51) NR4A2HTR1AADRA2ADRD1SLC6A2
SCHEMBL8549880 0.83 MAOB (0.51) NR4A2MEN1KMT2A
SCHEMBL8551278 0.81 MAOB (0.52) NR4A2MEN1KMT2A
SCHEMBL8549185 0.80 NR4A2 (0.54) NPC1RAB9ANR4A2MEN1KMT2A
SCHEMBL8545445 0.79 NPC1 (0.46) HPGDNPC1RAB9A
SCHEMBL8546084 0.79 NR4A2 (0.52) NPC1RAB9ANR4A2MEN1KMT2A

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