SCHEMBL9027641

SCHEMBL9027641

CCCCOc1c(COS(C)(=O)=O)nc(OCc2ccccc2)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.36
ABCC1 P33527 4/20 0.36
AR P10275 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CTRC Q99895 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ADAMTS4 O75173 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL9027212 0.92 CA1 (0.34) CA12CA1CA2CA9PTGES
SCHEMBL9026447 0.89 CA1 (0.34) ARCA12CA1CA2CA9
SCHEMBL9026031 0.85 PIN1 (0.35) ARCA12CA1CA2CA9
SCHEMBL9471332 0.85 TLR8 (0.35) ABCB1ABCC1ARPTGESALOX5
SCHEMBL9470458 0.85 ALDH1A1 (0.36) ABCB1ABCC1CTRCPTGESALOX5
SCHEMBL27257482 0.84 CA12 (0.34) ARCA12CA1CA2CA9
SCHEMBL9026994 0.84 CA12 (0.34) ARCA12CA1CA2CA9
SCHEMBL9026414 0.84 CA12 (0.34) ARCA12CA1CA2CA9
SCHEMBL9026300 0.83 PDE4A (0.33) CA12CA1CA2CA9PDE4A
SCHEMBL9026206 0.83 CA12 (0.34) ARCA12CA1CA2CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed