SCHEMBL7907473

SCHEMBL7907473

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

nearest known ligand 0.71

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
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
FFAR1 O14842 1/20 0.42
CHRM3 P20309 1/20 0.41
ATM Q13315 1/20 0.41
MAOB P27338 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALKBH1 Q13686 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PPARD Q03181 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 1.00 PARP14 (0.44) PARP14PARP10GAAHPGDNPC1
SCHEMBL8546321 0.92 GAA (0.45) PARP14PARP10GAAHPGDNPC1
SCHEMBL8546324 0.85 PARP14 (0.44) PARP14PARP10GAAHPGDNPC1
SCHEMBL7900684 0.83 NR4A2 (0.59) NR4A2KMT2AFFAR1MAOB
SCHEMBL7900685 0.83 NR4A2 (0.59) NR4A2KMT2AFFAR1MAOB
SCHEMBL7901064 0.82 MAOB (0.53) RAB9ANR4A2FFAR1MAOB
SCHEMBL7901061 0.82 MAOB (0.53) RAB9ANR4A2FFAR1MAOB
SCHEMBL7901063 0.82 MAOB (0.53) NR4A2KMT2AFFAR1MAOB
SCHEMBL7901058 0.82 MAOB (0.53) NR4A2KMT2AFFAR1MAOB
SCHEMBL7901108 0.82 MAOB (0.53) NR4A2KMT2AFFAR1MAOB

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 7 patents. 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
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP claimed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO claimed
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed