SCHEMBL6779038

SCHEMBL6779038

[CH]=CC(C)(C)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.39
▸ LTA4H P09960 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ PPARG P37231 5/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ PPARA Q07869 3/20 0.31
▸ KCNA3 P22001 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 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
SCHEMBL4504393 0.77 SRD5A1 (0.44) CA4LTA4HTSHRMAPK1RIPK1
SCHEMBL6210928 0.77 CA4 (0.39) CA4LTA4HTSHRMAPK1RIPK1
SCHEMBL11664301 0.75 CA4 (0.33) CA4LTA4HTSHRMAPK1RIPK1
SCHEMBL11518288 0.74 CA4 (0.36) CA4LTA4HTSHRMAPK1RIPK1
SCHEMBL15202530 0.74 CA4 (0.36) CA4LTA4HTSHRMAPK1RIPK1
SCHEMBL8733201 0.73 CA4 (0.43) CA4LTA4HTSHRMAPK1RIPK1
SCHEMBL11518285 0.72 CA4 (0.34) CA4LTA4HTSHRMAPK1RIPK1
SCHEMBL9246066 0.72 NPSR1 (0.35) CA4LTA4HTSHRMAPK1RIPK1
SCHEMBL4224012 0.72 CA4 (0.48) CA4LTA4HTSHRMAPK1RIPK1
SCHEMBL93074 0.72 CA4 (0.48) CA4LTA4HTSHRMAPK1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762197-B2 FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 — — US disclosed
EP-1238975-A1 DIFLUOROMETHYLTRIAZOLONE COMPOUNDS, USE OF THE SAME AND INTERMEDIATES FOR THE PRODUCTION THEREOF Sumitomo Chemical Company, Limited (JP) 2002-09-11 — — EP disclosed
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