SCHEMBL4687403

SCHEMBL4687403

[c]1occc1Sc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAOB P27338 4/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRNA7 P36544 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43

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
SCHEMBL10337961 0.79 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1128286 0.78 HPGD (0.35) LMNAMAOBMAPTMAOASMN1; SMN2
SCHEMBL3421061 0.73 CYP1A2 (0.79) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4802655 0.72 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL14176678 0.72 MEN1 (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL339813 0.72 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL23639432 0.70 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL388096 0.70 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10749658 0.70 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5107508 0.69 RAB9A (0.57) LMNACYP1A2PTGS1SLC6A2CYP2C19

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
EP-1789036-A4 5-Ý3-(4-BENZYLOXYPHENYLTHIO)-FUR-2-YL¨-IMIDAZOLIDIN-2, 4-DIONE AND ANALOGUES AS INHIBITORS OF MACROPHAGE ELASTASE QUEST PHARMACEUTICAL SERVICES (US) 2008-08-27 EP disclosed
EP-1789036-A2 5-Ý3-(4-BENZYLOXYPHENYLTHIO)-FUR-2-YL¨-IMIDAZOLIDIN-2, 4-DIONE AND ANALOGUES AS INHIBITORS OF MACROPHAGE ELASTASE Quest Pharmaceutical Services (US) 2007-05-30 EP disclosed