SCHEMBL6970148

SCHEMBL6970148

O=C1NC(=O)/C(=C\c2ccc(C(=O)O)cc2)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.55
MYC P01106 1/20 0.49
IL1RN P18510 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
MAPT P10636 2/20 0.48
PIM1 P11309 2/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
PARP1 P09874 1/20 0.45
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42

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
SCHEMBL6970152 1.00 METAP1 (0.55) METAP1MYCIL1RNERAP1MAPT
SCHEMBL8172720 0.84 MYC (0.54) METAP1MYCIL1RNERAP1MAPT
SCHEMBL8172716 0.84 MYC (0.54) METAP1MYCIL1RNERAP1MAPT
SCHEMBL5525263 0.81 MEN1 (0.65) MAPTPIM1PTGS1PTGS2NPC1
SCHEMBL5525267 0.81 MEN1 (0.65) MAPTPIM1PTGS1PTGS2NPC1
SCHEMBL8172890 0.79 MEN1 (0.58) METAP1MAPTPIM1PTGS1PTGS2
SCHEMBL8172892 0.79 MEN1 (0.58) METAP1MAPTPIM1PTGS1PTGS2
SCHEMBL8180300 0.79 MEN1 (0.54) MAPTPIM1PTGS1PTGS2NPC1
SCHEMBL8180304 0.79 MEN1 (0.54) MAPTPIM1PTGS1PTGS2NPC1
SCHEMBL8187103 0.76 KMT2A (0.55) MAPTPTGS1PTGS2NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848004-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-04-02 EP disclosed
US-5955616-A PROSTAGLANDIN INHIBITORS SHIONOGI & CO., LTD. (JP) 1999-09-21 US disclosed
EP-0848004-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 1998-06-17 EP disclosed