SCHEMBL6238430

SCHEMBL6238430

COc1ccc2c(c1)c(=O)oc(=O)n2CCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KMT2A Q03164 1/20 0.47
KMO O15229 1/20 0.45
MET P08581 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
STAT1 P42224 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
PTGER4 P35408 1/20 0.40
TP53 P04637 1/20 0.40
PDE5A O76074 1/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
CASP3 P42574 1/20 0.39

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
SCHEMBL30198077 0.87 MAPT (0.44) MAPTKMT2AKMOMETALDH1A1
SCHEMBL24054541 0.87 MAPT (0.44) MAPTKMT2AKMOMETALDH1A1
SCHEMBL6236333 0.83 L3MBTL1 (0.44) MAPTKMT2AALDH1A1KDM4ENPC1
SCHEMBL6231590 0.82 MAPT (0.40) MAPTKMT2AKMOMETALDH1A1
SCHEMBL6234062 0.82 DNM1 (0.40) MAPTKMT2AALDH1A1NPC1POLB
SCHEMBL6738246 0.82 ALDH1A1 (0.40) MAPTKMT2AKMOALDH1A1KDM4E
SCHEMBL6232591 0.82 NOS3 (0.41) MAPTKMT2AKMOALDH1A1KDM4E
SCHEMBL6738655 0.81 MYLK (0.52) MAPTKMT2AKMOMETALDH1A1
SCHEMBL5308775 0.78 ALDH1A1 (0.55) MAPTKMT2AALDH1A1KDM4EPOLB
SCHEMBL29811358 0.78 MAPT (0.53) MAPTKMT2AALDH1A1KDM4ENPC1

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-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO disclosed