SCHEMBL29008283

SCHEMBL29008283

O=C(c1cc2ccccc2[nH]1)C(O)C(O)C(O)CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.53
KDM4E B2RXH2 4/20 0.51
MAPT P10636 1/20 0.51
DAO P14920 1/20 0.51
HPGD P15428 1/20 0.51
SRD5A2 P31213 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 1/20 0.50
IDO1 P14902 1/20 0.48
LMNA P02545 3/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AKR1C3 P42330 2/20 0.45
DRD2 P14416 1/20 0.45
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL17958877 0.96 FLT3 (0.51) FLT3KDM4EMAPTDAOHPGD
SCHEMBL5973083 0.82 KDM4E (0.58) FLT3KDM4EMAPTDAOHPGD
SCHEMBL595269 0.78 IDO1 (0.56) FLT3KDM4EMAPTDAOHPGD
SCHEMBL31343039 0.77 FLT3 (0.49) FLT3KDM4EMAPTDAOHPGD
SCHEMBL2605497 0.73 FLT3 (0.65) FLT3KDM4EMAPTDAOHPGD
SCHEMBL30790269 0.73 FLT3 (0.65) FLT3KDM4EMAPTDAOHPGD
SCHEMBL6923977 0.72 IDO1 (0.68) FLT3KDM4EMAPTDAOHPGD
SCHEMBL5161469 0.71 KDM4E (0.58) FLT3KDM4EMAPTDAOHPGD
SCHEMBL370573 0.70 FLT3 (1.00) FLT3KDM4EMAPTDAOHPGD
SCHEMBL31277139 0.70 FLT3 (0.77) FLT3KDM4EMAPTDAOHPGD

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-114097831-B Composition for enhancing stress resistance and application of composition in cucumber planting 海南大学 2023-04-28 CN disclosed