SCHEMBL6687079

SCHEMBL6687079

C/C=C/C=C/C(=O)NC(CS)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PTGS2 P35354 1/20 0.52
THPO P40225 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACE P12821 1/20 0.47
FOLH1 Q04609 1/20 0.41
CNR2 P34972 6/20 0.41
CNR1 P21554 4/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
RAB9A P51151 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL29285206 0.87 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29285204 0.87 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL31038388 0.86 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29285207 0.86 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6690689 0.76 FOLH1 (0.50) FOLH1CNR2CNR1CA1CA2
SCHEMBL30175811 0.74 CNR2 (0.45) MAPTSMN1; SMN2ACECNR2CNR1
SCHEMBL15623777 0.74 CNR2 (0.45) MAPTSMN1; SMN2ACECNR2CNR1
SCHEMBL27619146 0.74 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29089014 0.73 SMN1; SMN2 (0.62) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29089013 0.73 SMN1; SMN2 (0.62) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004098313-A1 ACRYLAMIDE REDUCTION IN FOOD RITTER HELMUT (DE) 2004-11-18 WO disclosed