SCHEMBL28974071

SCHEMBL28974071

CCc1cc(C2CCC2)c(C(N)=S)c(C(N)=S)c1C(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.32
PTGDR Q13258 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HTR2A P28223 3/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HSP90B1 P14625 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
ATM Q13315 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
SCHEMBL12488116 0.80 ALDH1A1 (0.36) PTGDR2PTGDRSMN1; SMN2ALDH1A1MAPT
SCHEMBL30280774 0.75 KDM4E (0.37) SMN1; SMN2ALDH1A1MAPTALOX5APFEN1
SCHEMBL19559130 0.72 MAPT (0.34) PTGDR2PTGDRSMN1; SMN2ALDH1A1MAPT
SCHEMBL18432260 0.70 PDK2 (0.37) PTGDR2PTGDRSMN1; SMN2ALDH1A1MAPT
SCHEMBL30280880 0.70 PTGER4 (0.41) ALDH1A1MAPTALOX5APFEN1LMNA
SCHEMBL12489103 0.69 CAMKK2 (0.36) PTGDR2PTGDRALDH1A1MAPTHTR2A
SCHEMBL12489172 0.69 CFTR (0.36) PTGDR2PTGDRSMN1; SMN2ALDH1A1MAPT
SCHEMBL31312362 0.68 FASN (0.42) ALDH1A1MAPTGAA
SCHEMBL12488856 0.68 FASN (0.42) ALDH1A1MAPTGAA
SCHEMBL12488878 0.68 GAA (0.42) SMN1; SMN2ALDH1A1MAPTLMNAGAA

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-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed