SCHEMBL11243008

SCHEMBL11243008

CCCCOc1ccc(C(=CC(=O)O)NC(C)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
TP53 P04637 1/20 0.54
PLA2G4B P0C869 6/20 0.52
RARB P10826 4/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PLA2G4A P47712 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MMP1 P03956 1/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL11719081 0.79 ELANE (0.53) TP53KDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL9820462 0.78 TP53 (0.68) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL10338197 0.78 TP53 (0.68) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL9488596 0.78 KDM4E (0.46) TSHRTP53KDM4EL3MBTL1MAPK1
SCHEMBL14367306 0.78 TP53 (0.54) TSHRTP53PLA2G4BRARBKDM4E
SCHEMBL28472389 0.78 TP53 (0.54) TSHRTP53PLA2G4BRARBKDM4E
SCHEMBL28459280 0.75 TP53 (0.59) TSHRTP53PLA2G4BRARBKDM4E
SCHEMBL388144 0.74 MTNR1A (0.44) TSHRKDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL1092185 0.74 L3MBTL1 (0.85) TSHRTP53PLA2G4BRARBSMN1; SMN2
SCHEMBL5072835 0.74 MTNR1A (0.44) TSHRKDM4EHTTSMN1; SMN2L3MBTL1

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
US-4356324-A CHIRAL LIGANDS FOR RHODIUM HYDROGENATION CATALYSTS DEGUSSA AKTIENGESELLSCHAFT, A GERMAN CORP. (DE) 1982-10-26 US disclosed