SCHEMBL14865011

SCHEMBL14865011

CCN(CC)C(=O)Cc1c(C(=O)O)[nH]c2ccc(C)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
GFER P55789 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PRNP P04156 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PPARG P37231 1/20 0.51
HIF1A Q16665 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51

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
SCHEMBL30890023 0.85 KDM4E (0.73) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL9449433 0.85 KDM4E (0.73) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3107611 0.83 PRNP (0.71) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL24721602 0.80 MAPT (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL6703458 0.80 KDM4E (0.55) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL17296934 0.79 POLB (0.70) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL20094576 0.77 KDM4E (0.70) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL29198788 0.76 KDM4E (0.66) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3091494 0.76 KDM4E (0.66) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2816058 0.75 ALDH1A1 (0.67) MAPTKDM4EALDH1A1MEN1KMT2A

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-2581451-A1 Compounds for inhibiting mammalian s-nitrosoglutathione reductase Indiana University Research and Technology Corporation (US) 2013-04-17 EP disclosed