SCHEMBL9026447

SCHEMBL9026447

COc1c(COS(C)(=O)=O)nc(OCc2ccccc2)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
MMP2 P08253 5/20 0.34
MMP13 P45452 4/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP14 P50281 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MMP9 P14780 3/20 0.32
MMP3 P08254 2/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 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
SCHEMBL9027212 0.89 CA1 (0.34) CA1CA2CA9CA12MMP2
SCHEMBL9026390 0.89 KDM4E (0.38) MMP13ADAMTS4HPGDKDM4EPIN1
SCHEMBL9027641 0.89 ABCB1 (0.36) CA1CA2CA9CA12MMP2
SCHEMBL9026581 0.87 ALDH1A1 (0.37) MMP2MMP13ADAMTS4MMP14ADAMTS5
SCHEMBL9026994 0.87 CA12 (0.34) CA1CA2CA9CA12MMP2
SCHEMBL9026031 0.87 PIN1 (0.35) CA1CA2CA9CA12MMP2
SCHEMBL27257482 0.87 CA12 (0.34) CA1CA2CA9CA12MMP2
SCHEMBL9026414 0.87 CA12 (0.34) CA1CA2CA9CA12MMP2
SCHEMBL9026387 0.87 SCN9A (0.36) ALDH1A1HPGDLMNATSHRMAPK1
SCHEMBL9026300 0.86 PDE4A (0.33) CA1CA2CA9CA12L3MBTL1

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