SCHEMBL720316

SCHEMBL720316

O=C(O)CC(=CCC(O)C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CPB1 P15086 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
GRIK1 P39086 4/20 0.38
TET2 Q6N021 6/20 0.37
KDM4A O75164 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
TET3 O43151 2/20 0.37
OR51E2 Q9H255 1/20 0.36
TET1 Q8NFU7 1/20 0.34
CYP2C19 P33261 1/20 0.33
GRIK2 Q13002 3/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32

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
SCHEMBL720315 1.00 TSHR (0.45) TSHRKDM4ECPB1SMN1; SMN2GRIK1
SCHEMBL9507934 0.83 TSHR (0.48) TSHRKDM4ECPB1GRIK1CYP2C19
SCHEMBL9410934 0.79 TSHR (0.45) TSHRKDM4ECPB1GRIK1CYP2C19
SCHEMBL28114947 0.78 TSHR (0.43) TSHRKDM4ECPB1GRIK1OR51E2
SCHEMBL9507119 0.71 CPB1 (0.50) TSHRKDM4ECPB1GRIK1CYP2C19
SCHEMBL4887355 0.70 TSHR (0.54) TSHRKDM4ECPB1CYP2C19LDHA
SCHEMBL19407227 0.70 TSHR (0.54) TSHRKDM4ECPB1CYP2C19LDHA
SCHEMBL1674910 0.70 TSHR (0.54) TSHRKDM4ECPB1CYP2C19LDHA
SCHEMBL13541377 0.70 TSHR (0.54) TSHRKDM4ECPB1CYP2C19LDHA
SCHEMBL216018 0.69 TSHR (0.52) TSHRKDM4ECPB1GRIK1CYP2C19

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-20120048295-A1 CLEANING FORMULATION FOR REMOVING RESIDUES ON SURFACES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2012-03-01 US disclosed