SCHEMBL6828835

SCHEMBL6828835

Cc1ccc(OC(=O)c2ccc(C=O)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.44
PRSS1 P07477 3/20 0.42
TMPRSS15 P98073 2/20 0.42
KMT2A Q03164 7/20 0.41
MEN1 O00255 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 4/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTK2B Q14289 1/20 0.39
ACR P10323 1/20 0.39
BCHE P06276 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6829094 0.84 PRSS1 (0.42) LMNAALDH1A1PRSS1TMPRSS15KMT2A
SCHEMBL6828740 0.84 MAPT (0.41) ALDH1A1PRSS1TMPRSS15KMT2AMEN1
SCHEMBL6828754 0.84 KMT2A (0.42) LMNAALDH1A1PRSS1TMPRSS15KMT2A
SCHEMBL6831170 0.84 MAPT (0.50) LMNAALDH1A1PRSS1TMPRSS15KMT2A
SCHEMBL6831122 0.82 LMNA (0.50) LMNAALDH1A1KMT2ANPC1RAB9A
SCHEMBL6829103 0.81 KIF11 (0.44) ALDH1A1PRSS1TMPRSS15KMT2AMAPT
SCHEMBL6826412 0.80 SMN1; SMN2 (0.44) LMNAALDH1A1PRSS1TMPRSS15KMT2A
SCHEMBL6826064 0.78 CHRNA3 (0.39) LMNAALDH1A1PRSS1TMPRSS15KMT2A
SCHEMBL2226671 0.76 NPSR1 (0.53) LMNAALDH1A1KMT2ANPC1RAB9A
SCHEMBL6831000 0.76 BCHE (0.43) PRSS1TMPRSS15KMT2AMEN1MAPT

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