SCHEMBL8977089

SCHEMBL8977089

C=CCc1nc(C(=O)O)c(C(=O)O)c(CC=C)c1COC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE4B Q07343 2/20 0.32
PDE4D Q08499 2/20 0.32
KMO O15229 1/20 0.31

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
SCHEMBL8977160 0.85 PDE4B (0.37) KDM4EGAATSHRSMN1; SMN2HSD17B10
SCHEMBL8977153 0.80 KDM4E (0.38) KDM4EGAATSHRSMN1; SMN2HSD17B10
SCHEMBL8995682 0.78 KMO (0.34) KMO
SCHEMBL8846408 0.69 KDM4E (0.37) KDM4EGAATSHRSMN1; SMN2HSD17B10
SCHEMBL16191206 0.67 KDM4E (0.36) KDM4EGAATSHRSMN1; SMN2HSD17B10
SCHEMBL30843807 0.67 ALDH1A1 (0.35) KDM4EGAAKMO
SCHEMBL29458340 0.66 KDM4E (0.35) KDM4EGAATSHRSMN1; SMN2HSD17B10
SCHEMBL27699173 0.66 KDM4E (0.35) KDM4EGAATSHRSMN1; SMN2HSD17B10
SCHEMBL271102 0.66 KDM4E (0.35) KDM4EGAATSHRSMN1; SMN2HSD17B10
SCHEMBL3227961 0.65 KDM4E (0.37) KDM4EGAATSHRSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0461403-B1 Process for the preparation of dialkyl pyridine-2,3-dicarboxylate and derivatives thereof from dialkyl dichlorosucciante AMERICAN CYANAMID CO (US) 1996-08-28 EP claimed
EP-0560019-B1 Process for the preparation of dialkyl 2,3-pyridinedicarboxylate and derivatives thereof from an alpha, beta-unsaturated oxime and an aminobutenedioate AMERICAN CYANAMID CO (US) 1996-04-24 EP claimed