SCHEMBL6826110

SCHEMBL6826110

O=Cc1ccc(C(=O)Oc2ccc(F)c(F)c2F)s1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 17/20 0.35
TMPRSS15 P98073 17/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ERN1 O75460 1/20 0.32
STS P08842 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL6826137 0.83 TMPRSS15 (0.41) PRSS1TMPRSS15
SCHEMBL6925215 0.78 PRSS1 (0.40) PRSS1TMPRSS15
SCHEMBL6828754 0.76 KMT2A (0.42) PRSS1TMPRSS15
SCHEMBL6831000 0.73 BCHE (0.43) PRSS1TMPRSS15
SCHEMBL6828740 0.73 MAPT (0.41) PRSS1TMPRSS15
SCHEMBL6829229 0.72 ALDH1A1 (0.48)
SCHEMBL6826412 0.71 SMN1; SMN2 (0.44) PRSS1TMPRSS15
SCHEMBL2226671 0.71 NPSR1 (0.53) ERN1
SCHEMBL6826417 0.71 MRGPRX4 (0.35) PRSS1TMPRSS15ERN1
SCHEMBL2653044 0.70 HDAC3 (0.55) ERN1

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