SCHEMBL9265201

SCHEMBL9265201

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

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.74
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL9267825 0.89 OXER1 (0.84) OXER1MAPTMEN1KMT2A
SCHEMBL9160837 0.88 OXER1 (0.91) OXER1MAPTMEN1ALDH1A1HTT
SCHEMBL9160699 0.88 OXER1 (0.91) OXER1MAPTMEN1ALDH1A1HTT
SCHEMBL9165525 0.88 OXER1 (0.91) OXER1MAPTMEN1ALDH1A1HTT
SCHEMBL9164420 0.88 OXER1 (0.91) OXER1MAPTMEN1ALDH1A1HTT
SCHEMBL286749 0.85 OXER1 (1.00) OXER1ALDH1A1
SCHEMBL15512501 0.82 OXER1 (0.62) OXER1MAPTMEN1ALDH1A1HTT
SCHEMBL9268276 0.82 OXER1 (0.62) OXER1MAPTMEN1ALDH1A1HTT
SCHEMBL17022468 0.81 OXER1 (0.62) OXER1MAPTMEN1ALDH1A1HTT
SCHEMBL9268069 0.81 OXER1 (0.68) OXER1MAPTMEN1ALDH1A1HTT

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