SCHEMBL8064075

SCHEMBL8064075

C[S+]([O-])c1ccc(C(=O)c2cc(F)ccc2C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
CHRNA7 P36544 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 3/20 0.34
THRB P10828 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 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
SCHEMBL8063775 0.82 RARA (0.38) ALDH1A1HTTCHRNA7MAPTTP53
SCHEMBL28376318 0.78 MAPK1 (0.44) ATMALDH1A1HTTMAPTMAPK1
SCHEMBL8068763 0.77 PTPN1 (0.34) ALDH1A1HTTCHRNA7CES2CES1
SCHEMBL8068760 0.77 LMNA (0.33) ALDH1A1HTTCHRNA7MAPTTP53
SCHEMBL11819766 0.75 NFE2L2 (0.45)
SCHEMBL8066115 0.75 NFE2L2 (0.45)
SCHEMBL8066110 0.75 NFE2L2 (0.45)
SCHEMBL8054621 0.74 ERN1 (0.38) ALDH1A1MAPT
SCHEMBL17907433 0.72 ALDH1A1 (0.48) ALDH1A1HTTMAPTMAPK1
SCHEMBL8054634 0.71 PDE7A (0.35) ALDH1A1MAPT

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-6020379-A Position 7 substituted indenyl-3-acetic acid derivatives and amides thereof for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-02-01 US disclosed
US-3954852-A Indenylacetic acid compounds MERCK & CO., INC. (US) 1976-05-04 US disclosed