SCHEMBL30760633

SCHEMBL30760633

[2H]c1c(CO)cccc1OB(O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.40
LTA4H P09960 1/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
TTR P02766 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
CFTR P13569 1/20 0.30
MAOB P27338 1/20 0.30
PRKCI P41743 1/20 0.30

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
SCHEMBL30703673 0.86 CYP4F2 (0.42) ENPP2CYP4F2CYP4A11
SCHEMBL1250219 0.81 ENPP2 (0.52) ENPP2LTA4HTSHRSMN1; SMN2TTR
SCHEMBL30869948 0.75 NPC1 (0.46) ENPP2LTA4HMAOB
SCHEMBL29061154 0.73 ENPP2 (0.43) ENPP2LTA4HTSHRSMN1; SMN2TTR
SCHEMBL29630966 0.72 LTA4H (0.42) LTA4HTSHRCYSLTR1PRSS1PRSS2
SCHEMBL1251529 0.71 LTA4H (0.50) ENPP2LTA4HTSHRTTRCYSLTR1
SCHEMBL27896280 0.70 CYP4F2 (0.57) CYP4F2CYP4A11
SCHEMBL30666641 0.70 MAPT (0.35) TSHR
SCHEMBL30666619 0.69 MGLL (0.42) TSHRMAOB
SCHEMBL6677730 0.68 ENPP2 (0.41) ENPP2TSHRSMN1; SMN2

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-117396462-A Antiviral compounds 英菲克斯治疗有限公司 2024-01-12 CN disclosed