SCHEMBL6421161

SCHEMBL6421161

CCOC(=O)c1c[nH]c2cc(C(=O)O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NR4A2 P43354 2/20 0.52
GABRA1 P14867 3/20 0.52
GABRB2 P47870 3/20 0.52
HRH3 Q9Y5N1 1/20 0.51
GABRB1 P18505 2/20 0.51
GABRA3 P34903 2/20 0.51
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.46
CLEC4M Q9H2X3 1/20 0.45
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6421158 0.92 IMPDH2 (0.63) IMPDH2MEN1KMT2AALDH1A1TP53
SCHEMBL6418497 0.84 NR4A2 (0.68) NR4A2NPC1RAB9A
SCHEMBL5245797 0.83 CA12 (0.56) MEN1KMT2AALDH1A1TP53HPGD
SCHEMBL6419348 0.82 F7 (0.51) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL29800593 0.82 NR4A2 (0.54) MEN1KMT2AALDH1A1TP53HPGD
SCHEMBL6490095 0.82 GABRA1 (0.70) MEN1KMT2AALDH1A1TP53HPGD
SCHEMBL22864631 0.82 NR4A2 (0.54) MEN1KMT2AALDH1A1TP53HPGD
SCHEMBL6416792 0.81 KDM4E (0.49) IMPDH2MEN1KMT2AALDH1A1TP53
SCHEMBL31451463 0.81 MAPT (0.67) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL10474074 0.80 MEN1 (0.66) IMPDH2MEN1KMT2AALDH1A1TP53

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