SCHEMBL7829083

SCHEMBL7829083

COC(=O)OC1=C(OS(=O)(=O)C(F)(F)F)c2ccc(OC)cc2S(=O)(=O)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
MCHR1 Q99705 5/20 0.40
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CHRM5 P08912 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL7824055 0.94 POLB (0.42) POLBMCHR1EDNRBEDNRAKMT2A
SCHEMBL7827728 0.92 EDNRB (0.42) EDNRBEDNRAKMT2ALMNA
SCHEMBL7824156 0.91 ALDH1A1 (0.46) POLBMCHR1EDNRAKMT2AALDH1A1
SCHEMBL7340189 0.88 EDNRB (0.40) POLBMCHR1EDNRBEDNRAKMT2A
SCHEMBL7826340 0.86 EDNRB (0.42) EDNRBEDNRAKMT2AALDH1A1LMNA
SCHEMBL7832196 0.86 HSD11B1 (0.43) POLBALDH1A1LMNA
SCHEMBL7817685 0.85 EDNRA (0.37) EDNRBEDNRAKMT2AALDH1A1LMNA
SCHEMBL7817130 0.85 EDNRB (0.45) MCHR1EDNRBEDNRAALDH1A1KDM4E
SCHEMBL7817798 0.82 HSD11B1 (0.41) EDNRBEDNRAKMT2AALDH1A1LMNA
SCHEMBL7333608 0.81 CHRM5 (0.42) POLBMCHR1EDNRBEDNRAKMT2A

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
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP claimed