SCHEMBL8545502

SCHEMBL8545502

Cc1c(C(=O)O)c(O)c(O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
HTT P42858 2/20 0.53
RAB9A P51151 2/20 0.53
APAF1 O14727 1/20 0.53
ELANE P08246 1/20 0.47
TTR P02766 3/20 0.46
MEN1 O00255 4/20 0.46
MAOA P21397 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 3/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
ALOX12 P18054 2/20 0.46
RECQL P46063 2/20 0.46
DAPK1 P53355 2/20 0.46
CYP1B1 Q16678 2/20 0.46

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
SCHEMBL23198953 0.87 MAPT (0.53) MAPTALDH1A1KMT2AL3MBTL1HTT
SCHEMBL5075855 0.86 ALDH1A1 (0.52) MAPTALDH1A1KMT2AL3MBTL1HTT
SCHEMBL29360530 0.86 ALDH1A1 (0.52) MAPTALDH1A1KMT2AL3MBTL1HTT
SCHEMBL9131211 0.86 ALDH1A1 (0.52) MAPTALDH1A1KMT2AL3MBTL1HTT
SCHEMBL28019688 0.82 MAPT (0.55) MAPTALDH1A1KMT2AL3MBTL1HTT
SCHEMBL22719979 0.82 ELANE (0.56) MAPTALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL22799167 0.81 LDHA (0.49) MAPTALDH1A1KMT2AL3MBTL1HTT
SCHEMBL15315053 0.81 MAPT (0.54) MAPTALDH1A1KMT2AL3MBTL1HTT
SCHEMBL8756313 0.79 MAPT (0.55) MAPTALDH1A1KMT2AL3MBTL1HTT
SCHEMBL29450065 0.79 MAPT (0.53) MAPTALDH1A1KMT2AL3MBTL1HTT

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-0725778-A4 RECOMBINANT PRODUCTION OF NOVEL POLYKETIDES UNIV LELAND STANFORD JUNIOR (US) 1998-11-11 EP disclosed
EP-0725778-A1 RECOMBINANT PRODUCTION OF NOVEL POLYKETIDES THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1996-08-14 EP disclosed
WO-1995008548-A1 RECOMBINANT PRODUCTION OF NOVEL POLYKETIDES THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1995-03-30 WO disclosed