SCHEMBL8499141

SCHEMBL8499141

CCCCCCCCCCCCCCCCCC(=O)c1c(OC(=O)O)[nH]c2cccc(C)c12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
OXER1 Q8TDS5 1/20 0.42
ALOX15 P16050 4/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PLA2G2A P14555 2/20 0.38
PLA2G5 P39877 2/20 0.38
DAGLA Q9Y4D2 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL9269735 0.89 MAPT (0.44) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL9271005 0.87 PPARA (0.48) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL9268279 0.82 OXER1 (0.59) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL8501750 0.80 AKR1C3 (0.42) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL9273621 0.72 OXER1 (0.53) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL7211886 0.72 OXER1 (0.53) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL1275962 0.72 MEN1 (0.66) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL8498268 0.71 PPARA (0.43) ALDH1A1MAPTALOX15MAPK1NPSR1
SCHEMBL9263411 0.71 SLC2A1 (0.45) ALDH1A1LMNASMN1; SMN2
SCHEMBL9267182 0.69 OXER1 (0.52) MAPTOXER1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923546-A1 ACYLPYRROLDICARBOXYLIC ACIDS AND ACYLINDOLDICARBOXYLIC ACIDS AND THEIR DERIVATIVES AND INHIBITORS OF THE CYTOSOLIC PHOSPHOLIPASE A2 Merckle GmbH (DE) 1999-06-23 EP disclosed
WO-1998005637-A1 ACYLPYRROLDICARBOXYLIC ACIDS AND ACYLINDOLDICARBOXYLIC ACIDS AND THEIR DERIVATIVES AND INHIBITORS OF THE CYTOSOLIC PHOSPHOLIPASE A¿2? MERCKLE GMBH (DE) 1998-02-12 WO disclosed