SCHEMBL8977160

SCHEMBL8977160

C=CCc1nc(C(=O)O)c(C(=O)O)c(CC=C)c1CC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.37
PDE4D Q08499 5/20 0.37
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RXRA P19793 1/20 0.31
NR4A2 P43354 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL8977089 0.85 KDM4E (0.33) PDE4BPDE4DKDM4EGAATSHR
SCHEMBL8977153 0.84 KDM4E (0.38) PDE4BPDE4DKDM4EGAATSHR
SCHEMBL8995696 0.78 GABRP (0.37) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL8846408 0.73 KDM4E (0.37) PDE4BPDE4DKDM4EGAATSHR
SCHEMBL8995714 0.71 HCAR2 (0.41) KDM4EGAAMEN1KMT2A
SCHEMBL16191206 0.71 KDM4E (0.36) PDE4BPDE4DKDM4EGAATSHR
SCHEMBL29458340 0.69 KDM4E (0.35) PDE4BPDE4DKDM4EGAATSHR
SCHEMBL271102 0.69 KDM4E (0.35) PDE4BPDE4DKDM4EGAATSHR
SCHEMBL27699173 0.69 KDM4E (0.35) PDE4BPDE4DKDM4EGAATSHR
SCHEMBL9784563 0.69 HCAR2 (0.38) PDE4BPDE4DKDM4ESMN1; SMN2MAPK1

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