SCHEMBL21079116

SCHEMBL21079116

Cc1cc(C2CCCCC2)cc(C=O)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
PSMB5 P28074 2/20 0.35
CHRM4 P08173 1/20 0.35
HTT P42858 3/20 0.34
BACE1 P56817 1/20 0.33
MAT2A P31153 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
KMO O15229 1/20 0.32
CYP11B2 P19099 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL5213850 0.88 BACE1 (0.38) KDM4ELMNAPSMB5HTTBACE1
SCHEMBL19537423 0.82 BACE1 (0.41) KDM5AALDH1A1KDM4ELMNAHPGD
SCHEMBL18677138 0.80 PDGFRB (0.40) KDM5AALDH1A1KDM4ELMNAHPGD
SCHEMBL14082026 0.77 KDM5A (0.40) KDM5AALDH1A1KDM4ELMNAHPGD
SCHEMBL16573748 0.74 PROKR1 (0.39) KDM5AALDH1A1KDM4ELMNAHPGD
SCHEMBL21986515 0.72 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAPSMB5HTT
SCHEMBL15216874 0.71 TLR9 (0.40) ALDH1A1KDM4EHPGDCHRM4HTT
SCHEMBL19531853 0.71 KDM5A (0.45) KDM5AALDH1A1KDM4ELMNAHPGD
SCHEMBL29951678 0.70 PDE10A (0.38) CHRM4
SCHEMBL19531802 0.69 KDM5A (0.44) KDM5AALDH1A1KDM4ELMNAHPGD

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-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 EP disclosed