SCHEMBL9530495

SCHEMBL9530495

CC(Oc1cc(-c2n[nH]c(S(C)(=O)=O)c2CCl)c(F)cc1Cl)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
HPGD P15428 1/20 0.34
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ABCB11 O95342 1/20 0.32
SCN9A Q15858 1/20 0.32
PPOX P50336 1/20 0.31
GRK6 P43250 1/20 0.31
ALPL P05186 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
SCHEMBL9530440 0.90 LMNA (0.32) KDM4EALDH1A1HPGDTSHRSCN9A
SCHEMBL9529630 0.77 ATM (0.33) SCN9A
SCHEMBL9533348 0.77 ATM (0.33) SCN9A
SCHEMBL9534405 0.74 KDM4E (0.37) NR1H4KDM4EALDH1A1HSD17B10PTGDR2
SCHEMBL9529358 0.73 KDM4E (0.35) NR1H4KDM4EALDH1A1HSD17B10PTGDR2
SCHEMBL9696171 0.72 KDM4E (0.34) NR1H4KDM4EALDH1A1HSD17B10PTGDR2
SCHEMBL9532828 0.71 ACLY (0.32)
SCHEMBL9530079 0.70 PTGDR2 (0.41) NR1H4KDM4EALDH1A1HSD17B10PTGDR2
SCHEMBL31118302 0.69 KDM4E (0.44) NR1H4KDM4EALDH1A1HSD17B10PTGDR2
SCHEMBL7676069 0.68 PTGDR2 (0.42) KDM4EALDH1A1HSD17B10PTGDR2HPGD

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
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed