SCHEMBL27299142

SCHEMBL27299142

CC(C)Oc1c(Cl)c(C(=O)Cl)cc(Cl)c1S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
LMNA P02545 1/20 0.32
CXCR5 P32302 1/20 0.32
SCN9A Q15858 3/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
ALDH1A1 P00352 1/20 0.30
EPHX2 P34913 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL8489244 0.75 CXCR5 (0.34) CXCR5MAPK8MAPK9MAPK10ALDH1A1
SCHEMBL29253906 0.73
SCHEMBL985772 0.66 PPARA (0.40) RORCLMNACXCR5PPARGPPARA
SCHEMBL3872289 0.65 SLC6A9 (0.50) LMNA
SCHEMBL28442729 0.64 SCN9A (0.38) LMNASCN9AALDH1A1
SCHEMBL10520080 0.64 ABCB11 (0.38) ALDH1A1
SCHEMBL8488732 0.62 MAPK8 (0.35) RORCLMNACXCR5MAPK8MAPK9
SCHEMBL29113488 0.62 LMNA (0.35) LMNAALDH1A1
SCHEMBL24539858 0.62 CXCR5 (0.36) RORCCXCR5ALDH1A1
SCHEMBL21514201 0.62 FABP3 (0.39) RORCALDH1A1EPHX2NR1H4

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
CN-1037058-C Herbicide composition and use thereof RHONE POULENC AGRICULTURE (GB) 1998-01-21 CN disclosed