SCHEMBL7067539

SCHEMBL7067539

COCc1onc(C(=O)[AsH]c2ccc(C#N)cc2C(=O)O)c1COC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.33
ALOX5 P09917 1/20 0.32
ALOX5AP P20292 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
KDM4C Q9H3R0 3/20 0.32
KDM5B Q9UGL1 2/20 0.32
KDM5A P29375 1/20 0.32
FASN P49327 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30
THRB P10828 1/20 0.30
PTGER4 P35408 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
SCHEMBL6830734 0.81 ALB (0.47) ALB
SCHEMBL6916075 0.68 ALDH1A1 (0.58) THRB
SCHEMBL7064643 0.67 MAOB (0.41) ALOX5ALOX5APKDM4CKDM5B
SCHEMBL6915841 0.67 MEN1 (0.42)
SCHEMBL7124908 0.65 ABCG2 (0.38)
SCHEMBL6918289 0.65 SMN1; SMN2 (0.38)
SCHEMBL7131039 0.64 MCL1 (0.39) ALBSLC22A12
SCHEMBL20020187 0.64 SCN9A (0.32)
SCHEMBL6285852 0.64 ALDH1A1 (0.48) ALOX5ALOX5APSLC22A12
SCHEMBL6914592 0.63 XDH (0.37) ALBSLC22A12

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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed