SCHEMBL31486014

SCHEMBL31486014

CCOC(=O)c1c(C(=O)OCC)c(C(=O)OCC)c2c([nH]c3ccc(I)cc32)c1C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRA4 P48169 1/20 0.55
GABRA6 Q16445 1/20 0.55
GAA P10253 5/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
MAPK10 P53779 1/20 0.47
HCRTR1 O43613 2/20 0.47
ALOX5 P09917 6/20 0.46

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
SCHEMBL31486001 0.87 ALDH1A1 (0.56) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL31486298 0.85 NR4A2 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31485924 0.85 GAA (0.49) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL31486111 0.85 GABRA1 (0.51) GABRA1GABRA3GAAALDH1A1KDM4E
SCHEMBL31486141 0.85 CSF1R (0.57) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31486241 0.84 ALDH1A1 (0.65) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31486166 0.82 HCRTR1 (0.57) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL31486156 0.81 ALOX5 (0.48) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL31486190 0.81 KDM4E (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31486290 0.79 MAPT (0.47) GAAALDH1A1KDM4EMAPTHPGD

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
CN-119751335-A Indole derivative and preparation method and application thereof 山东省农业科学院 2025-04-04 CN disclosed