SCHEMBL28536772

SCHEMBL28536772

CCOCCCCCOc1cc(C)ccc1S(=O)(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.38
MAPT P10636 5/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 5/20 0.38
HTT P42858 2/20 0.37
PPARA Q07869 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
CYP2C9 P11712 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA1A P35348 1/20 0.36
PPARG P37231 1/20 0.36
HTR2B P41595 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
SLCO1B1 Q9Y6L6 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
SCHEMBL21219198 0.92 ALDH1A1 (0.41) L3MBTL1MAPTRAB9AATMTSHR
SCHEMBL28313554 0.90 MAPT (0.41) L3MBTL1MAPTRAB9AATMTSHR
SCHEMBL28541140 0.90 ALDH1A1 (0.43) L3MBTL1MAPTTDP1CYP2C9SMN1; SMN2
SCHEMBL28654549 0.90 ALDH1A1 (0.39) L3MBTL1MAPTCYP2C9SMN1; SMN2CYP1A2
SCHEMBL28537870 0.88 ALDH1A1 (0.40) L3MBTL1MAPTRAB9AATMTSHR
SCHEMBL28559501 0.87 ALDH1A1 (0.41) L3MBTL1MAPTRAB9AATMTSHR
SCHEMBL21815478 0.84 MEN1 (0.47) L3MBTL1MAPTRAB9AATMTSHR
SCHEMBL4420431 0.83 L3MBTL1 (0.42) L3MBTL1MAPTRAB9AATMTSHR
SCHEMBL28380826 0.83 TSHR (0.39) L3MBTL1MAPTRAB9AATMTSHR
SCHEMBL28354485 0.83 TSHR (0.39) L3MBTL1MAPTRAB9AATMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112638477-B Pyrrolo [2,3-B ] pyridine derivatives as inhibitors of influenza virus replication 共晶制药公司 2024-01-26 CN disclosed
CN-110637022-B Pyrrolopyrimidine derivatives as inhibitors of influenza virus replication 共晶制药公司 2022-09-16 CN disclosed
CN-112638477-A Pyrrolo [2,3-B ] pyridine derivatives as inhibitors of influenza virus replication 共晶制药公司 2021-04-09 CN disclosed
CN-110637022-A Pyrrolopyrimidine derivatives as inhibitors of influenza virus replication 共晶制药公司 2019-12-31 CN disclosed