SCHEMBL29400952

SCHEMBL29400952

O=C(O)[C@H](Cc1ccc(O)c(O)c1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.74
ALDH1A1 P00352 4/20 0.73
GAA P10253 1/20 0.73
KMT2A Q03164 5/20 0.61
AADAT Q8N5Z0 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 3/20 0.57
TSHR P16473 1/20 0.56
CYP2D6 P10635 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.55
GLA P06280 1/20 0.55
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
NFKB1 P19838 1/20 0.55
APEX1 P27695 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL11863240 0.92 POLB (0.64) POLBALDH1A1GAAKMT2AAADAT
SCHEMBL13659577 0.85 POLB (0.66) POLBALDH1A1GAAKMT2AAADAT
SCHEMBL11463170 0.85 POLB (1.00) POLBALDH1A1GAAKMT2AAADAT
SCHEMBL6692611 0.85 POLB (1.00) POLBALDH1A1GAAKMT2AAADAT
SCHEMBL478614 0.85 ALDH1A1 (1.00) POLBALDH1A1GAAKMT2AAADAT
SCHEMBL30216480 0.85 ALDH1A1 (1.00) POLBALDH1A1GAAKMT2AAADAT
SCHEMBL4861809 0.85 ALDH1A1 (1.00) POLBALDH1A1GAAKMT2AAADAT
SCHEMBL392680 0.85 ALDH1A1 (1.00) POLBALDH1A1GAAKMT2AAADAT
SCHEMBL13659482 0.83 POLB (0.63) POLBALDH1A1GAAKMT2AAADAT
Hydrochloric Acid SCHEMBL7840775 0.83 ALDH1A1 (0.97) POLBALDH1A1GAAKMT2AAADAT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176768-A Preparation method and application of catechol derivatives and administration and preparation device 海南大学 2024-12-24 CN disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed