SCHEMBL8108748

SCHEMBL8108748

CSc1ccc(C#CC(=O)C2CC2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 3/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 3/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 3/20 0.33
MCL1 Q07820 1/20 0.33
PGK1 P00558 2/20 0.32
MAPT P10636 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FLI1 Q01543 1/20 0.31
EWSR1 Q01844 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8100206 0.72 HSD17B10 (0.33) HPGDSMN1; SMN2HSD17B10KMT2AHTT
SCHEMBL8109706 0.70 PGK1 (0.37) HPGDSMN1; SMN2HSD17B10KMT2AHTT
SCHEMBL8109917 0.69 KMT2A (0.34) KMT2ATSHRMEN1
SCHEMBL3753905 0.67 TRPV4 (0.52) PGK1CYP11B1CYP11B2
SCHEMBL8607601 0.65 HPGD (0.40) HPGDSMN1; SMN2HSD17B10KMT2AHTT
SCHEMBL13593871 0.62 GRM5 (0.35)
SCHEMBL3146682 0.62 MCL1 (0.59) HPGDSMN1; SMN2HSD17B10KMT2AHTT
SCHEMBL21916828 0.62 HPGD (0.41) HPGDSMN1; SMN2HSD17B10KMT2AHTT
SCHEMBL7867188 0.62 CYP11B1 (0.47) HPGDSMN1; SMN2HSD17B10KMT2AHTT
SCHEMBL8109821 0.62 CYP11B1 (0.47) HPGDSMN1; SMN2HSD17B10KMT2AHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP disclosed
US-5424276-A Herbicidal 4-acyl-5-pyridylisoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1995-06-13 US disclosed
US-5366957-A Plant growth regulators RHONE-POULENC ARGRICULTURE LTD (GB) 1994-11-22 US disclosed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 EP disclosed