SCHEMBL9567017

SCHEMBL9567017

[O]C=C(CC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LDHA P00338 1/20 0.44
SRR Q9GZT4 1/20 0.44
CPB1 P15086 1/20 0.42
CYP2C19 P33261 1/20 0.41
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 1/20 0.37
OR51E2 Q9H255 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
MAPK1 P28482 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.35
RECQL P46063 1/20 0.34
ABAT P80404 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
LMNA P02545 1/20 0.30
ALKBH5 Q6P6C2 1/20 0.30

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
SCHEMBL33410 0.77 TSHR (0.59) TSHRKDM4ELDHASRRCPB1
SCHEMBL28123688 0.77 TSHR (0.59) TSHRKDM4ELDHASRRCPB1
SCHEMBL6365923 0.77 TSHR (0.59) TSHRKDM4ELDHASRRCPB1
SCHEMBL707103 0.77 TSHR (0.59) TSHRKDM4ELDHASRRCPB1
Aconitic Acid SCHEMBL22334 0.74 TSHR (1.00) TSHRKDM4ELDHASRRCPB1
SCHEMBL9179834 0.74 TSHR (0.56) TSHRKDM4ELDHASRRCPB1
SCHEMBL10696055 0.74 TSHR (0.56) TSHRKDM4ELDHASRRCPB1
SCHEMBL11743391 0.74 TSHR (0.56) TSHRKDM4ELDHASRRCPB1
SCHEMBL11365016 0.74 TSHR (0.56) TSHRKDM4ELDHASRRCPB1
SCHEMBL19032421 0.74 TSHR (0.56) TSHRKDM4ELDHASRRCPB1

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
EP-0539606-A1 PHOTOPOLYMERIZABLE COMPOSITION FOR COLOR FILTER AND COLOR FILTER OBTAINED THEREFROM NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1993-05-05 EP disclosed