SCHEMBL6957202

SCHEMBL6957202

O=Cc1ccc(OOCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP2A6 P11509 2/20 0.45
GSK3B P49841 2/20 0.43
BACE1 P56817 2/20 0.43
KMT2A Q03164 1/20 0.42
PPARG P37231 2/20 0.41
LCK P06239 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
AMY1A P0DUB6 1/20 0.40
TSHR P16473 1/20 0.40
BCHE P06276 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL158270 0.81 RAB9A (0.68) MAOBMAOARAB9AALDH1A1KDM4E
SCHEMBL4473780 0.81 MAOA (0.71) MAOBMAOARAB9AALDH1A1KDM4E
SCHEMBL194419 0.80 TSHR (0.52) MAOBMAOARAB9AALDH1A1SMN1; SMN2
SCHEMBL865349 0.80 RAB9A (0.71) MAOBMAOARAB9AALDH1A1KDM4E
SCHEMBL1222314 0.77 RAB9A (0.62) MAOBMAOARAB9AALDH1A1KDM4E
SCHEMBL6187222 0.77 RAB9A (0.62) MAOBMAOARAB9AALDH1A1KDM4E
SCHEMBL7369619 0.77 TSHR (0.62) MAOBMAOARAB9AALDH1A1KDM4E
SCHEMBL1554529 0.76 RAB9A (0.60) MAOBMAOARAB9AALDH1A1KDM4E
SCHEMBL9614962 0.76 LTA4H (0.45) BCHE
SCHEMBL2954818 0.76 MEN1 (0.47) MAOBMAOARAB9AALDH1A1SMN1; SMN2

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-1001943-B1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-12-17 EP claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
EP-1001943-B1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-12-17 EP disclosed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US disclosed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO disclosed