SCHEMBL7200331

SCHEMBL7200331

Cc1cccc2c1Cc1[c]c(C(C)(C)C)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL7044047 0.76 HTR1A (0.31)
SCHEMBL1029280 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7524851 0.73 ACHE (0.36) ACHEPARP1PARP10PARP11ALDH1A1
SCHEMBL2052193 0.72 ACHE (0.47) ACHEPARP1PARP10PARP11ALDH1A1
SCHEMBL4468060 0.67 CA2 (0.32)
SCHEMBL6142471 0.66 POLB (0.31)
SCHEMBL714734 0.66 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4650969 0.65 ALDH1A1 (0.34) ALDH1A1
SCHEMBL135721 0.64 PNMT (0.53) ACHEPARP1PARP10PARP11ALDH1A1
SCHEMBL2960382 0.63 ALDH1A1 (0.37) ALDH1A1

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
EP-1297027-A1 SILOXY SUBSTITUTED COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Patents Inc. (US) 2003-04-02 EP disclosed
WO-2002000738-A1 SILOXY SUBSTITUTED COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-01-03 WO disclosed