SCHEMBL5873764

SCHEMBL5873764

CC(C)(c1ccc(OC(=O)O)c(-c2ccccc2)c1)c1ccccc1I

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.42
PTGDR2 Q9Y5Y4 13/20 0.41
SGK1 O00141 1/20 0.34
ACLY P53396 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL235939 0.84 BACE1 (0.48) BACE1PTGDR2CNR1CNR2
SCHEMBL4665186 0.81 BACE1 (0.50) BACE1PTGDR2
SCHEMBL3448725 0.76 PTGDR2 (0.49) BACE1PTGDR2ACLY
SCHEMBL16395376 0.75 BACE1 (0.47) BACE1PTGDR2CNR1CNR2
SCHEMBL16394911 0.74 BACE1 (0.46) BACE1PTGDR2CNR1CNR2
SCHEMBL14173157 0.74 BACE1 (0.49) BACE1PTGDR2CNR1CNR2
SCHEMBL12438736 0.73 BACE1 (0.58) BACE1PTGDR2
SCHEMBL14173094 0.73 BACE1 (0.45) BACE1PTGDR2CNR1CNR2
SCHEMBL1162218 0.73 CYP2C9 (0.46) BACE1
SCHEMBL11615389 0.72 PTGDR2 (0.49) BACE1PTGDR2ACLYCNR1CNR2

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-7091302-B2 Process for the preparation of polycarbonate BAYER MATERIALSCIENCE AG (DE) 2006-08-15 US disclosed
US-20050239995-A1 Process for the preparation of polycarbonate BAYER MATERIALSCIENCE AG 2005-10-27 US disclosed