SCHEMBL11399080

SCHEMBL11399080

CN(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD11B1 P28845 1/20 0.52
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 1/20 0.47
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
DAO P14920 1/20 0.46
TSHR P16473 1/20 0.46
NAPRT Q6XQN6 1/20 0.46

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
Hydrochloric Acid SCHEMBL11687441 0.98 HPGD (0.50) HPGDALDH1A1HSD11B1RAB9ANPC1
SCHEMBL2220361 0.90 ALDH1A1 (0.55) HPGDALDH1A1HSD11B1RAB9ANPC1
SCHEMBL3874067 0.85 HPGD (0.52) HPGDALDH1A1HSD11B1RAB9ANPC1
SCHEMBL8166168 0.84 HPGD (0.50) HPGDALDH1A1HSD11B1RAB9ANPC1
SCHEMBL9781741 0.82 ALDH1A1 (0.48) HPGDALDH1A1HSD11B1RAB9ANPC1
SCHEMBL25650570 0.82 HPGD (0.48) HPGDALDH1A1HSD11B1RAB9ANPC1
SCHEMBL7104370 0.82 MAPT (0.50) HPGDALDH1A1HSD11B1RAB9ANPC1
SCHEMBL27383304 0.82 ALDH1A1 (0.54) HPGDALDH1A1RAB9ANPC1KMT2A
SCHEMBL11464381 0.82 MAPT (0.50) HPGDALDH1A1HSD11B1RAB9ANPC1
SCHEMBL9781774 0.82 ALDH1A1 (0.48) HPGDALDH1A1HSD11B1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066263-A Directed conjugation techniques 克莱奥药品有限公司 2022-09-16 CN disclosed
EP-0026361-A2 Sulfenylated acyl urethanes, process for their preparation and their microbicidal use BAYER AG (DE) 1981-04-08 EP disclosed