SCHEMBL530130

SCHEMBL530130

CCC(C)c1cccc(C(N)=O)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
BCAT2 O15382 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.40
PARP1 P09874 2/20 0.39
PLA2G10 O15496 4/20 0.39
PLA2G2A P14555 4/20 0.39
HTT P42858 1/20 0.38
IKBKB O14920 1/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G5 P39877 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
PLA2G12B Q9BX93 1/20 0.38
PLA2G12A Q9BZM1 1/20 0.38
PLA2G2F Q9BZM2 1/20 0.38
PLA2G3 Q9NZ20 1/20 0.38
PLA2G2E Q9NZK7 1/20 0.38
PLA2G2D Q9UNK4 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL4301698 0.89 BCAT2 (0.41) BCAT2KEAP1NFE2L2IRAK4PARP1
SCHEMBL4410159 0.84 BCAT2 (0.49) TSHRBCAT2KEAP1NFE2L2IRAK4
SCHEMBL1380696 0.82 TSHR (0.55) TSHRBCAT2KEAP1NFE2L2IRAK4
SCHEMBL8526511 0.82 TSHR (0.55) TSHRBCAT2KEAP1NFE2L2IRAK4
Acetic Acid SCHEMBL8910191 0.82 BCAT2 (0.46) BCAT2KEAP1NFE2L2IRAK4PARP1
SCHEMBL4560229 0.81 BCAT2 (0.45) BCAT2KEAP1NFE2L2IRAK4PARP1
SCHEMBL28240555 0.79 TSHR (0.43) TSHRBCAT2KEAP1NFE2L2IRAK4
SCHEMBL28240556 0.78 TSHR (0.46) TSHRKEAP1NFE2L2IRAK4PARP1
SCHEMBL27214460 0.77 BCAT2 (0.63) TSHRBCAT2KEAP1NFE2L2PARP1
SCHEMBL530128 0.77 BCAT2 (0.56) BCAT2KEAP1NFE2L2IRAK4PLA2G10

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-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed