SCHEMBL6829499

SCHEMBL6829499

O=Cc1ccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 6/20 0.41
POLB P06746 5/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
PRSS1 P07477 2/20 0.38
TMPRSS15 P98073 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HSP90AA1 P07900 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.37
STAT1 P42224 1/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
CSF1R P07333 1/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL6829309 0.79 KMT2A (0.49) ALDH1A1KDM4EPOLBL3MBTL1TDP1
SCHEMBL2324097 0.78 HTT (0.55) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL6829332 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL6829604 0.77 PRSS1 (0.48) ALDH1A1KDM4EPOLBMAPTTDP1
SCHEMBL6826069 0.76 KMT2A (0.47) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL6831061 0.76 MAPT (0.51) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL6829312 0.76 TDP1 (0.44) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL6826476 0.76 KMT2A (0.63) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL28577903 0.76 HTT (0.53) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL6828819 0.76 PRSS1 (0.40) ALDH1A1KDM4EPOLBMAPTL3MBTL1

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-2004037808-A1 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-05-06 WO disclosed