SCHEMBL7901173

SCHEMBL7901173

O=C(O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.65
MAOB P27338 3/20 0.58
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR4A2 P43354 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SMPD1 P17405 1/20 0.47
MET P08581 1/20 0.47
ALOX5 P09917 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46

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
SCHEMBL6947857 0.85 SGMS2 (0.60) PTPN1MEN1KMT2ANPC1ALDH1A1
SCHEMBL8494317 0.85 MAOB (0.60) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL7911106 0.85 ALDH1A1 (0.55) PTPN1MAOBMEN1KMT2ANPC1
SCHEMBL3674806 0.84 MAOB (0.62) PTPN1MAOBMEN1KMT2ANPC1
SCHEMBL4473413 0.83 MAOB (0.61) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL28256912 0.83 MAOB (0.65) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL4756552 0.82 MAOB (0.63) MAOBMEN1KMT2ASMN1; SMN2NR4A2
SCHEMBL16016781 0.82 MAOB (0.63) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL11739156 0.82 MAOB (0.59) PTPN1MAOBMEN1KMT2ANPC1
SCHEMBL3962253 0.80 MAOB (0.61) MAOBMEN1KMT2ANPC1RAB9A

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 8 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
CN-108929271-B Tyrosinase inhibitor and preparation method and application thereof 中国药科大学 2021-08-31 CN disclosed
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