SCHEMBL9333346

SCHEMBL9333346

CO/C=C(/C(=O)O)c1ccccc1SCc1c(C)noc1C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 7/20 0.56
TSHR P16473 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.52
POLB P06746 1/20 0.52
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKR1C3 P42330 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 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
SCHEMBL9333361 1.00 KMT2A (0.58) KMT2AALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL9336092 0.85 ALDH1A1 (0.56) KMT2AALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL9336087 0.85 ALDH1A1 (0.56) KMT2AALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL9333403 0.82 PPARG (0.39) KMT2AALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL9333392 0.82 PPARG (0.39) KMT2AALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL9493004 0.80 KMT2A (0.55) KMT2AALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL9493005 0.80 KMT2A (0.55) KMT2AALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL9336203 0.79 KMT2A (0.38) KMT2AALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL9336192 0.79 KMT2A (0.38) KMT2AALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL8637704 0.79 KMT2A (0.53) KMT2AALDH1A1SMN1; SMN2LMNAL3MBTL1

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