SCHEMBL27644530

SCHEMBL27644530

CC(C)(C)OC(=O)C(N)CC(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
NFKB1 P19838 1/20 0.43
LMNA P02545 1/20 0.42
PMP22 Q01453 1/20 0.42
NLRP3 Q96P20 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
APP P05067 1/20 0.40

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
SCHEMBL17079753 0.87 LTA4H (0.42) CYP2C19KMT2AMEN1LMNAL3MBTL1
SCHEMBL27644605 0.79 LTA4H (0.39) CYP2D6KMT2AMEN1NFKB1LMNA
SCHEMBL390626 0.77 CYP3A4 (0.43) POLBCYP2C9CYP2C19CYP2D6KMT2A
SCHEMBL27514296 0.77 CYP3A4 (0.43) POLBCYP2C9CYP2C19CYP2D6KMT2A
SCHEMBL1147794 0.77 CYP3A4 (0.43) POLBCYP2C9CYP2C19CYP2D6KMT2A
SCHEMBL27400981 0.76 POLB (0.56) POLBCYP2C9CYP2C19CYP2D6KMT2A
SCHEMBL7319980 0.76 GRM2 (0.49) LTA4HSLC7A5GRIK1
SCHEMBL2795228 0.76 KMT2A (0.43) CYP2C9CYP2C19CYP2D6KMT2AMEN1
SCHEMBL9544124 0.76 GRM2 (0.49) LTA4HSLC7A5GRIK1
SCHEMBL25320423 0.76 CYP3A4 (0.55) CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2

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
CN-1882347-A AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2006-12-20 CN disclosed