SCHEMBL10797111

SCHEMBL10797111

CCC(=O)NC(CS)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BIRC2 Q13490 1/20 0.36
ACE P12821 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
MME P08473 1/20 0.35
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
HDAC2 Q92769 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
SCHEMBL10797114 1.00 CYP2C9 (0.41) CYP2C9KDM4EMAPTTHRBALOX15
SCHEMBL5056684 0.88 SMN1; SMN2 (0.42) CYP2C9KDM4EMAPTTHRBALOX15
SCHEMBL5020127 0.86 L3MBTL1 (0.50) CYP2C9KDM4EMAPTTHRBALOX15
SCHEMBL21691952 0.86 SMN1; SMN2 (0.41) CYP2C9KDM4EMAPTTHRBALOX15
SCHEMBL14047527 0.83 CYP2C9 (0.43) CYP2C9BIRC2L3MBTL1TAS1R3TAS1R1
SCHEMBL5020132 0.83 CYP2C9 (0.37) CYP2C9KDM4EMAPTTHRBALOX15
SCHEMBL22722555 0.82 HDAC1 (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28767083 0.82 KDM4E (0.38) CYP2C9KDM4EMAPTTHRBALOX15
SCHEMBL11119428 0.82 KDM4E (0.38) CYP2C9KDM4EMAPTTHRBALOX15
SCHEMBL28767084 0.82 KDM4E (0.38) CYP2C9KDM4EMAPTTHRBALOX15

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-4670395-A Enantioselective hydrolysis of N-acylamino acid esters using a combined enzyme system THE STANDARD OIL COMPANY (US) 1987-06-02 US disclosed