SCHEMBL11155199

SCHEMBL11155199

CCCCn1c(=O)[nH]c(C(=O)O)c(C(C)=O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ADORA2B P29275 5/20 0.44
▸ ADORA3 P0DMS8 4/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ PDE4A P27815 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ TSHR P16473 3/20 0.40
▸ HTT P42858 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RGS12 O14924 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL10962026 0.84 CYP1A2 (0.38) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL10964934 0.82 ALDH1A1 (0.49) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL11163716 0.81 MAPT (0.50) KDM4EHSD17B10GAAHPGDALDH1A1
Lithium Ion SCHEMBL11164279 0.80 KDM4E (0.43) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL11170785 0.80 KDM4E (0.43) KDM4EHSD17B10GAAHPGDALDH1A1
Potassium Ion SCHEMBL10961551 0.80 KDM4E (0.43) KDM4EHSD17B10GAAHPGDALDH1A1
Water SCHEMBL10965608 0.79 MAPT (0.49) KDM4EHSD17B10GAAHPGDALDH1A1
Water SCHEMBL10963373 0.79 KDM4E (0.43) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL11155201 0.77 TSHR (0.49) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL11170803 0.69 KDM4E (0.48) KDM4EHSD17B10GAAHPGDALDH1A1

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-4400508-A AGRICULTURE; PLANT DISEASES; ANTISEPTICS UBE INDUSTRIES, LTD. (JP) 1983-08-23 — — US claimed
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