SCHEMBL30440320

SCHEMBL30440320

O=C(CCl)Oc1ccccc1.O=C(O)C(Cl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP19A1 P11511 1/20 0.41
PTGS1 P23219 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ELANE P08246 1/20 0.37
CYP2D6 P10635 1/20 0.37
SRC P12931 1/20 0.37
MGLL Q99685 1/20 0.37
RNF4 P78317 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL137047 0.84 CYP19A1 (0.52) ATML3MBTL1CYP19A1PRSS1PRSS2
SCHEMBL11467265 0.82 CYP19A1 (0.50) ATML3MBTL1CYP19A1PRSS1PRSS2
SCHEMBL5325296 0.78 SRC (0.56) L3MBTL1PTGS1ALDH1A1CYP2D6SRC
SCHEMBL664900 0.78 SRC (0.56) L3MBTL1PTGS1ALDH1A1CYP2D6SRC
SCHEMBL10499600 0.78 RNF4 (0.57) CYP19A1ALDH1A1ELANERNF4MAPK1
SCHEMBL4078239 0.77 ALDH1A1 (0.47) ATML3MBTL1ALDH1A1ELANECYP2D6
Hydrochloric Acid SCHEMBL6334096 0.76 SRC (0.54) L3MBTL1PTGS1CYP2D6SRCLMNA
Ammonia Solution, Strong SCHEMBL38660871 0.76 SRC (0.54) L3MBTL1PTGS1ALDH1A1CYP2D6SRC
SCHEMBL8675334 0.75 L3MBTL1 (0.56) ATML3MBTL1PTGS1ELANECYP2D6
SCHEMBL3625470 0.75 ESR1 (0.42) PRSS1PRSS2PRSS3ALDH1A1ELANE

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-116438167-A Compounds having O-GlcNAc enzyme inhibitory activity and uses thereof 美迪福伦DBT有限公司 2023-07-14 CN disclosed