SCHEMBL7908828

SCHEMBL7908828

ON=C(COCc1ccccc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 3/20 0.53
PARP10 Q53GL7 1/20 0.53
PLA2G4B P0C869 1/20 0.52
SRD5A2 P31213 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL5706491 0.84 NR4A1 (0.58) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL4209197 0.84 NR4A1 (0.58) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL4209193 0.84 NR4A1 (0.58) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL17276674 0.83 MAOB (0.58) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL29183337 0.81 SMN1; SMN2 (0.56) PLA2G4BL3MBTL1KDM4ERAB9ASMN1; SMN2
SCHEMBL6672244 0.81 GRIN1 (0.46) LMNACYP1A2CYP2C19MEN1KMT2A
SCHEMBL1630447 0.78 NR4A1 (0.68) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL2300049 0.76 NR4A1 (0.60) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL2300045 0.76 NR4A1 (0.60) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL7301072 0.76 PARP10 (0.66) NR4A1NR4A2NR4A3LMNACYP1A2

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