SCHEMBL6554884

SCHEMBL6554884

C=C(COc1ccc(CCNC(=O)[C@H](CCC)NS(C)(=O)=O)cc1OC)Oc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CNR1 P21554 1/20 0.43
CTSD P07339 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGER1 P34995 1/20 0.39
PPARG P37231 1/20 0.39
RAB9A P51151 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39

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
SCHEMBL6556806 0.81 KMT2A (0.58) KMT2AMEN1GAAALDH1A1CNR1
SCHEMBL7157119 0.76 GAA (0.52) KMT2AMEN1GAAALDH1A1CNR1
SCHEMBL6554732 0.76 MEN1 (0.53) KMT2AMEN1GAAALDH1A1CNR1
SCHEMBL6554726 0.76 MEN1 (0.53) KMT2AMEN1GAAALDH1A1CNR1
SCHEMBL5642269 0.75 KMT2A (0.52) KMT2AMEN1GAAALDH1A1CNR1
SCHEMBL6555985 0.74 KMT2A (0.55) KMT2AMEN1GAAALDH1A1CNR1
SCHEMBL7156842 0.74 KMT2A (0.55) KMT2AMEN1GAAALDH1A1CNR1
SCHEMBL6554738 0.74 KMT2A (0.51) KMT2AMEN1GAAALDH1A1CNR1
SCHEMBL6555996 0.73 KMT2A (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6556893 0.72 GAA (0.52) KMT2AMEN1GAAALDH1A1CNR1

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-1135368-B1 ALPHA-SULFIN- AND ALPHA-SULFON-AMINO ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-25 EP disclosed
US-6538016-B2 For controlling and preventing an infestation of crop plants by phytopathogenic microorganisms, preferably fungi SYNGENTA PARTICIPATIONS AG (CH) 2003-03-25 US disclosed
EP-1135368-A2 ALPHA-SULFIN- AND ALPHA-SULFON-AMINO ACID AMIDES Syngenta Participations AG (CH) 2001-09-26 EP disclosed
WO-2000032568-A2 $G(A)-SULFIN- AND $G(A)-SULFONAMINO ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-06-08 WO disclosed