SCHEMBL3710296

SCHEMBL3710296

CC(C)Cc1cc2cc(C(=O)O)cc(Cl)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.40
TTR P02766 1/20 0.39
TPMT P51580 2/20 0.35
EIF4A3 P38919 2/20 0.35
TSHR P16473 1/20 0.34
PLAU P00749 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3708249 0.87 LMNA (0.37) FBP1KDM4EHRH4
SCHEMBL3707303 0.82 HTT (0.36)
SCHEMBL23684463 0.75 GPR84 (0.43) FBP1TTRTPMTTSHRKDM4E
SCHEMBL7920912 0.75 TTR (0.46) TTRTPMTTSHRPLAUHRH4
SCHEMBL3534704 0.75 DAO (0.49) TTRTPMTEIF4A3TSHRKDM4E
SCHEMBL3707995 0.74 RAB9A (0.47) TSHRKDM4E
SCHEMBL8553610 0.71 CASP3 (0.50) EIF4A3PLAUKDM4EGRIN2DGRIN2A
SCHEMBL31695109 0.70 TPMT (0.41) TTRTPMTKDM4EHRH4TDP1
SCHEMBL15592243 0.67 TTR (0.43) TTRTPMTEIF4A3TSHRPLAU
SCHEMBL400398 0.66 TSHR (0.53) TSHRKDM4E

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
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed