SCHEMBL6416792

SCHEMBL6416792

CCOC(=O)c1cc(C(=O)O)cc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
NUDT1 P36639 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
HRH3 Q9Y5N1 1/20 0.48
AURKA O14965 1/20 0.46
TPX2 Q9ULW0 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
GABRA1 P14867 3/20 0.43
GABRB2 P47870 3/20 0.43
KMT2A Q03164 3/20 0.43
IMPDH2 P12268 1/20 0.43
TSHR P16473 1/20 0.42
GABRB1 P18505 2/20 0.42
GABRA3 P34903 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 2/20 0.42
ENPP2 Q13822 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL6416789 0.92 KDM4E (0.51) KDM4ENUDT1ALDH1A1HPGDGABRA1
SCHEMBL14823123 0.84 KDM4E (0.52) KDM4ENUDT1ALDH1A1HPGDNPSR1
SCHEMBL6418381 0.84 AURKA (0.49) KDM4EALDH1A1HPGDAURKATPX2
SCHEMBL10289966 0.83 KDM4E (0.51) KDM4ENUDT1ALDH1A1HPGDNPSR1
SCHEMBL394886 0.82 KDM4E (0.50) KDM4ENUDT1ALDH1A1HPGDNPSR1
SCHEMBL14878884 0.82 KDM4E (0.50) KDM4ENUDT1ALDH1A1HPGDNPSR1
SCHEMBL28489854 0.82 KDM4E (0.50) KDM4ENUDT1ALDH1A1HPGDNPSR1
SCHEMBL6421161 0.81 IMPDH2 (0.54) KDM4EALDH1A1HPGDHRH3GABRA1
SCHEMBL30446838 0.80 AURKA (0.56) KDM4EALDH1A1HPGDAURKATPX2
SCHEMBL2806054 0.80 AURKA (0.56) KDM4EALDH1A1HPGDAURKATPX2

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
US-20050178659-A1 Copolymer compound and electrochemical cell therewith NEC TOKIN CORPORATION (JP) 2005-08-18 US disclosed