SCHEMBL6421135

SCHEMBL6421135

CCOC(=O)c1c(C(=O)O)ccc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.47
▸ GABRA1 P14867 3/20 0.44
▸ GABRB2 P47870 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GABRB1 P18505 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 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
SCHEMBL6421132 0.91 NUDT1 (0.52) NUDT1GABRA1GABRB2GAAALDH1A1
SCHEMBL6421662 0.84 NR4A2 (0.43) —
SCHEMBL6422575 0.80 F7 (0.43) GAAALDH1A1HPGDKDM4EAURKA
SCHEMBL28302801 0.79 CA12 (0.57) GAAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL14465333 0.76 NUDT1 (0.49) NUDT1GABRA1GABRB2ALDH1A1HPGD
SCHEMBL14559813 0.75 P2RX7 (0.50) ALDH1A1HPGDKDM4EAURKAHSD17B10
SCHEMBL6417970 0.75 NUDT1 (0.57) NUDT1GABRA1GABRB2ALDH1A1HPGD
SCHEMBL6421659 0.74 NR4A2 (0.49) GAAKDM4E
SCHEMBL15797416 0.74 P2RX7 (0.52) GABRA1GABRB2KDM4EGABRB1GABRA3
SCHEMBL11056026 0.74 CDC25B (0.55) GAAALDH1A1HPGDKDM4EKMT2A

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
Send feedback