SCHEMBL10530656

SCHEMBL10530656

CCCCc1c2ccccc2c(CO)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
HPGD P15428 6/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
GCGR P47871 3/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.42
NCEH1 Q6PIU2 1/20 0.41
POLB P06746 1/20 0.41
CFTR P13569 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL29611102 0.89 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL4887109 0.89 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL11577551 0.83 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL30127786 0.82 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL28275474 0.82 KDM4E (0.47) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL250349 0.82 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL12869780 0.81 KDM4E (0.46) KDM4EHPGDALDH1A1HSD17B10GCGR
SCHEMBL3724371 0.80 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL9664897 0.80 KDM4E (0.51) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL29853841 0.79 TSHR (0.45) KDM4EALDH1A1HSD17B10GAAPOLB

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
JP-1152362-A None JP disclosed
JP-H01152362-A ANALYSIS OF MONENSIN AND SODIUM MONENSIN BY FAST LIQUID CHROMATOGRAPHY SHIMADZU CORP 1989-06-14 JP disclosed