SCHEMBL29131383

SCHEMBL29131383

CC(C)(C)OC(=O)NC(CCCNC(=N)N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
ALDH1A1 P00352 9/20 0.44
HPGD P15428 6/20 0.44
KDM4E B2RXH2 6/20 0.44
HSD17B10 Q99714 3/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CYP1A1 P04798 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A43 Q9HB55 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL9003164 0.90 REN (0.41) CA12CA1CA9ALDH1A1HPGD
SCHEMBL4181564 0.87 REN (0.39) CA12CA1CA9
SCHEMBL28241955 0.87 ALDH1A1 (0.48) CA12CA1CA9ALDH1A1HPGD
SCHEMBL27934031 0.87 ALDH1A1 (0.48) CA12CA1CA9ALDH1A1HPGD
Hydrochloric Acid SCHEMBL19689404 0.84 ALDH1A1 (0.45) CA12CA1CA9ALDH1A1HPGD
Hydrochloric Acid SCHEMBL3108584 0.84 ALDH1A1 (0.45) CA12CA1CA9ALDH1A1HPGD
SCHEMBL5052616 0.84 PTGER4 (0.45) ALDH1A1HPGDKDM4EHTTMEN1
Arginine SCHEMBL27896326 0.82 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1HPGD
Arginine SCHEMBL29131390 0.82 ALDH1A1 (0.52) CA12CA1CA9ALDH1A1HPGD
Arginine SCHEMBL29103422 0.82 ALDH1A1 (0.52) CA12CA1CA9ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304254-A Synthesis method of endotoxin detection reagent fluorogenic substrate 上海瀚诺威生物科技有限公司 2023-12-29 CN claimed
CN-117304254-A Synthesis method of endotoxin detection reagent fluorogenic substrate 上海瀚诺威生物科技有限公司 2023-12-29 CN disclosed
CN-117304254-A Synthesis method of endotoxin detection reagent fluorogenic substrate 上海瀚诺威生物科技有限公司 2023-12-29 CN disclosed