SCHEMBL8305586

SCHEMBL8305586

CCS(=O)(=O)c1c(C(=O)O)cccc1-c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
LTB4R2 Q9NPC1 1/20 0.46
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.45
LPAR1 Q92633 1/20 0.44
GFER P55789 1/20 0.43
BRS3 P32247 1/20 0.43
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
MPI P34949 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2998004 0.79 SMN1; SMN2 (0.55) SMN1; SMN2LTB4R2GAAPOLBTP53
SCHEMBL269580 0.78 SMN1; SMN2 (0.70) SMN1; SMN2LTB4R2GAAPOLBTP53
SCHEMBL3642592 0.77 ALOX15 (0.58) SMN1; SMN2KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL2744891 0.77 SMN1; SMN2 (0.59) SMN1; SMN2LTB4R2GAAPOLBTP53
SCHEMBL30473062 0.76 SMN1; SMN2 (0.51) SMN1; SMN2LTB4R2GAAPOLBTP53
Pyrrole SCHEMBL1260091 0.73 SMN1; SMN2 (0.59) SMN1; SMN2LTB4R2GAAPOLBTP53
SCHEMBL30786197 0.73 SMN1; SMN2 (0.55) SMN1; SMN2LTB4R2GAAPOLBTP53
SCHEMBL10489884 0.73 SMN1; SMN2 (0.55) SMN1; SMN2GAAPOLBTP53USP2
SCHEMBL8306842 0.73 HNF4A (0.51) SMN1; SMN2PTPN1ALDH1A1MEN1LMNA
SCHEMBL5219162 0.71 POLB (0.55) SMN1; SMN2LTB4R2GAAPOLBTP53

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
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP claimed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO claimed