SCHEMBL9268276

SCHEMBL9268276

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.62
ALOX15 P16050 4/20 0.52
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL15512501 1.00 OXER1 (0.62) OXER1ALOX15MAPTALDH1A1KDM4E
SCHEMBL7968175 0.85 ALOX15 (0.72) OXER1ALOX15MAPTALDH1A1KDM4E
SCHEMBL17022468 0.83 OXER1 (0.62) OXER1MAPTALDH1A1KDM4EHPGD
SCHEMBL9265201 0.82 OXER1 (0.74) OXER1MAPTALDH1A1MEN1HTT
SCHEMBL9267825 0.81 OXER1 (0.84) OXER1MAPTMEN1KMT2A
SCHEMBL9268279 0.81 OXER1 (0.59) OXER1ALOX15MAPTALDH1A1KDM4E
SCHEMBL9164420 0.80 OXER1 (0.91) OXER1MAPTALDH1A1MEN1HTT
SCHEMBL9160699 0.80 OXER1 (0.91) OXER1MAPTALDH1A1MEN1HTT
SCHEMBL9267821 0.80 OXER1 (0.58) OXER1MAPTALDH1A1KDM4EHPGD
SCHEMBL9165525 0.80 OXER1 (0.91) OXER1MAPTALDH1A1MEN1HTT

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