SCHEMBL28028637

SCHEMBL28028637

CCOC(=O)C(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CDC25B P30305 2/20 0.48
MMP8 P22894 1/20 0.47
CDC25A P30304 1/20 0.45
CDC25C P30307 1/20 0.45
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
PIN1 Q13526 1/20 0.43
KMT2A Q03164 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPBWR1 P48145 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LTC4S Q16873 1/20 0.42

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
SCHEMBL1433197 0.92 ALDH1A1 (0.53) HPGDALDH1A1CDC25BMMP8CDC25A
SCHEMBL846623 0.88 ALDH1A1 (0.49) HPGDALDH1A1CDC25BMMP8CDC25A
SCHEMBL7925164 0.87 CTNNB1 (0.47) HPGDALDH1A1CDC25BMMP8CDC25A
SCHEMBL20912990 0.85 ALDH1A1 (0.47) HPGDALDH1A1CDC25BMMP8CDC25A
SCHEMBL6051357 0.82 ALDH1A1 (0.52) HPGDALDH1A1CDC25BCYP2C9CYP2C19
SCHEMBL25156303 0.81 KMT2A (0.52) HPGDALDH1A1CDC25BCDC25ACDC25C
SCHEMBL15203285 0.81 KMT2A (0.52) HPGDALDH1A1CDC25BCDC25ACDC25C
SCHEMBL31360448 0.81 KMT2A (0.52) HPGDALDH1A1CDC25BCDC25ACDC25C
SCHEMBL10412730 0.81 ALDH1A1 (0.51) HPGDALDH1A1CDC25BCDC25ACDC25C
SCHEMBL27491359 0.81 MMP8 (0.53) HPGDALDH1A1MMP8HTTPIN1

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-104981154-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2015-10-14 CN claimed