SCHEMBL7741469

SCHEMBL7741469

CS(=O)(=O)c1ccc(CO/N=C2/C(=O)N(CC(=O)O)c3ccc(F)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.42
PARK7 Q99497 3/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
EDNRA P25101 1/20 0.37
MAPK1 P28482 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
NSD2 O96028 1/20 0.36
TRPA1 O75762 2/20 0.35

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
SCHEMBL7741102 0.91 CHRM5 (0.39) PTGDR2PARK7MAPTCA1CA2
SCHEMBL7746032 0.85 FFAR4 (0.39) PARK7MAPTMAPK1TRPA1MEN1
SCHEMBL7745598 0.76 PTPN7 (0.37) MAPK1CA1CA2CA9CHRM5
SCHEMBL13627976 0.75 CA1 (0.52) PARK7CA1CA2CA12CA9
SCHEMBL7746063 0.74 IDO1 (0.35) CA1CA2CA12CA9TBXA2R
SCHEMBL7741233 0.73 TBXA2R (0.34) CA1CA2CA12CA9TBXA2R
SCHEMBL7745380 0.71 TBXA2R (0.39) CA1CA2CA12CA9TBXA2R
SCHEMBL14884742 0.71 PARK7 (0.65) PARK7CA1CA2CA12CA9
SCHEMBL7740953 0.70 ALDH1A1 (0.45) MAPTNPSR1MEN1POLBKMT2A
SCHEMBL6317571 0.65 ALDH1A1 (0.49) MAPTMEN1POLBKMT2A

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-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed