SCHEMBL9333392

SCHEMBL9333392

CO/C=C(/C(=O)O)c1ccccc1SCc1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 2/20 0.36
CYP1A2 P05177 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
PTPRG P23470 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
SCHEMBL9333403 1.00 PPARG (0.39) PPARGPPARAKMT2AL3MBTL1RAB9A
SCHEMBL9335907 0.86 PTPRG (0.41) KMT2AL3MBTL1RAB9ASMN1; SMN2MAPT
SCHEMBL9692521 0.86 RAB9A (0.38) KMT2AL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL9692513 0.86 RAB9A (0.38) KMT2AL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL9335893 0.86 PTPRG (0.41) KMT2AL3MBTL1RAB9ASMN1; SMN2MAPT
SCHEMBL9336192 0.85 KMT2A (0.38) KMT2AL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL9336203 0.85 KMT2A (0.38) KMT2AL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL8637704 0.84 KMT2A (0.53) KMT2AL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL8960857 0.84 KMT2A (0.53) KMT2AL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL9336046 0.82 KMT2A (0.36) KMT2AL3MBTL1RAB9ASMN1; SMN2LMNA

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