SCHEMBL6609575

SCHEMBL6609575

OCc1ccc(-c2[c]cccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
LTA4H P09960 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
VHL P40337 1/20 0.35
ELOC Q15369 1/20 0.35
ELOB Q15370 1/20 0.35
RIPK1 Q13546 1/20 0.35
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
PDK2 Q15119 1/20 0.33
FYN P06241 3/20 0.33
KIF11 P52732 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
BRAF P15056 1/20 0.32
PTGS1 P23219 2/20 0.32
HDAC2 Q92769 1/20 0.32
ABCC4 O15439 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
SCHEMBL1775198 0.80 TRPA1 (0.44) TSHR
SCHEMBL1371196 0.80 TP53 (0.44) LMNA
SCHEMBL9029706 0.80 TAAR1 (0.54) LTA4H
SCHEMBL1368894 0.77 LPL (0.37) CA2
SCHEMBL27647893 0.77 TDP1 (0.48)
SCHEMBL1411316 0.77 MMP3 (0.48) LMNAHTTCA12CA1CA2
SCHEMBL3730719 0.77 CA2 (0.47) TSHRPTGS1ABCC4LMNAGAA
SCHEMBL27970322 0.77 LMNA (0.42) TSHRPTGS1ABCC4LMNAGAA
SCHEMBL25097 0.76 ALDH1A1 (0.45) KIF11CA12CA1CA2CA9
SCHEMBL769959 0.76 ALDH1A1 (0.45) KIF11CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
US-4248976-A COMPRISING A PHOSPHORUS COMPOUND AND AN AROMATIC COMPOUND CIBA-GEIGY AG (CH) 1981-02-03 US disclosed
US-4163731-A HYDRAULIC FLUIDS CIBA-GEIGY AG (CH) 1979-08-07 US disclosed