SCHEMBL5721793

SCHEMBL5721793

CCc1ccc2c(c1-c1ccccc1C(C)C)C=C(c1ccccc1)[CH]2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.36
WDR48 Q8TAF3 2/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
FFAR1 O14842 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
SCHEMBL5721411 0.85 PTGS2 (0.32)
SCHEMBL5721234 0.85 TRPA1 (0.33) PPARAPPARG
SCHEMBL5721749 0.84 CA12 (0.35) CA12CA1CA2CA9PPARA
SCHEMBL5721262 0.83 CA12 (0.32) USP1WDR48CA12CA1CA2
SCHEMBL5721818 0.83 HEXA (0.33)
SCHEMBL5721197 0.83 CA12 (0.32) USP1WDR48CA12CA1CA2
SCHEMBL5721844 0.78 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL5721455 0.77 GCGR (0.32)
SCHEMBL5721244 0.76 DPP4 (0.33) PPARAPPARG
SCHEMBL5721475 0.76 CA12 (0.33) USP1WDR48CA12CA1CA2

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
EP-1640377-A1 Metallocenes and catalyst compositions derived therefrom Exxonmobil Chemical Patents Inc. (US) 2006-03-29 EP disclosed