SCHEMBL6828819

SCHEMBL6828819

O=Cc1ccc(C(=O)Oc2ccc(F)c(F)c2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.40
TMPRSS15 P98073 3/20 0.40
KMT2A Q03164 9/20 0.38
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
F2 P00734 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35

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 0.84 KMT2A (0.49) PRSS1TMPRSS15KMT2AGLATSHR
SCHEMBL6828651 0.81 PRSS1 (0.45) PRSS1TMPRSS15KMT2AGLATSHR
SCHEMBL6826474 0.80 ALDH1A1 (0.41) PRSS1TMPRSS15KMT2AGLATSHR
SCHEMBL6829604 0.79 PRSS1 (0.48) PRSS1TMPRSS15KMT2AGLATSHR
SCHEMBL6831061 0.78 MAPT (0.51) PRSS1TMPRSS15KMT2AGLATSHR
SCHEMBL6826476 0.78 KMT2A (0.63) PRSS1TMPRSS15KMT2AGLATSHR
SCHEMBL6829246 0.78 KMT2A (0.51) PRSS1TMPRSS15KMT2AGLATSHR
SCHEMBL6831027 0.77 LMNA (0.51) PRSS1TMPRSS15KMT2AALDH1A1KDM4E
SCHEMBL6828650 0.77 KDM4E (0.43) PRSS1TMPRSS15KMT2ATSHRALDH1A1
SCHEMBL6828603 0.77 KIF11 (0.44) PRSS1TMPRSS15KMT2AGLATSHR

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