SCHEMBL9336192

SCHEMBL9336192

CO/C=C(/C(=O)O)c1ccccc1SCc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 6/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 2/20 0.35
MAPT P10636 3/20 0.34
TSHR P16473 3/20 0.34
PTPRG P23470 1/20 0.34
ICMT O60725 1/20 0.34
GMNN O75496 1/20 0.34
TRPA1 O75762 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL9336203 1.00 KMT2A (0.38) KMT2AL3MBTL1POLBHSD17B10SMN1; SMN2
SCHEMBL9336042 0.92 KMT2A (0.36) KMT2AL3MBTL1POLBHSD17B10SMN1; SMN2
SCHEMBL9336046 0.92 KMT2A (0.36) KMT2AL3MBTL1POLBHSD17B10SMN1; SMN2
SCHEMBL9692513 0.89 RAB9A (0.38) KMT2AL3MBTL1POLBHSD17B10SMN1; SMN2
SCHEMBL9692521 0.89 RAB9A (0.38) KMT2AL3MBTL1POLBHSD17B10SMN1; SMN2
SCHEMBL9333403 0.85 PPARG (0.39) KMT2AL3MBTL1POLBHSD17B10SMN1; SMN2
SCHEMBL9333392 0.85 PPARG (0.39) KMT2AL3MBTL1POLBHSD17B10SMN1; SMN2
SCHEMBL8637704 0.84 KMT2A (0.53) KMT2AL3MBTL1POLBHSD17B10SMN1; SMN2
SCHEMBL8960857 0.84 KMT2A (0.53) KMT2AL3MBTL1POLBHSD17B10SMN1; SMN2
SCHEMBL9335893 0.84 PTPRG (0.41) KMT2AL3MBTL1POLBHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594573-A1 PREPARATION OF PROPENOIC ACID DERIVATIVES AgrEvo UK Limited (GB) 1994-05-04 EP disclosed
US-5264609-A Etherification and hydrolysis SCHERING AGROCHEMICALS LIMITED (GB) 1993-11-23 US disclosed
WO-1991007385-A1 PREPARATION OF PROPENOIC ACID DERIVATIVES SCHERING AGROCHEMICALS LIMITED (GB) 1991-05-30 WO disclosed