SCHEMBL9268279

SCHEMBL9268279

CCCCCCCCCCCCCCCCCC(=O)c1c(OC(=O)O)[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.59
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
GSK3B P49841 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
ALOX15 P16050 2/20 0.44

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
SCHEMBL7211886 0.87 OXER1 (0.53) OXER1MAPTALDH1A1MEN1HTT
SCHEMBL9273621 0.87 OXER1 (0.53) OXER1MAPTALDH1A1MEN1HTT
SCHEMBL9267182 0.85 OXER1 (0.52) OXER1MAPTMGAMGAASI
SCHEMBL8499141 0.82 ALDH1A1 (0.46) OXER1MAPTALDH1A1MEN1HTT
SCHEMBL9271005 0.81 PPARA (0.48) OXER1MAPTALDH1A1MEN1HTT
SCHEMBL9268276 0.81 OXER1 (0.62) OXER1MAPTALDH1A1MEN1HTT
SCHEMBL15512501 0.81 OXER1 (0.62) OXER1MAPTALDH1A1MEN1HTT
SCHEMBL17022468 0.80 OXER1 (0.62) OXER1MAPTALDH1A1MEN1HTT
SCHEMBL9265201 0.79 OXER1 (0.74) OXER1MAPTALDH1A1MEN1HTT
SCHEMBL9267825 0.78 OXER1 (0.84) OXER1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995013266-A1 ACYLPYRROLE-ALKANOIC ACIDS AND INDOLE-2-ALKANOIC ACIDS PLUS THEIR DERIVATIVES FOR USE AS INHIBITORS OF PHOSPHOLIPASE A¿2? MERCKLE GMBH CHEM.-PHARM. FABRIK (DE) 1995-05-18 WO disclosed