SCHEMBL7375775

SCHEMBL7375775

O=c1oc(CCc2ccccc2)cc(O)c1SCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.50
HTR3A P46098 1/20 0.50
PPARG P37231 3/20 0.48
DAO P14920 2/20 0.48
GPR84 Q9NQS5 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
STS P08842 1/20 0.38
HSD17B3 P37058 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL6958143 0.90 HTR2B (0.49) HTR2BHTR3APPARGDAOCA12
SCHEMBL11787842 0.83 ALDH1A1 (0.45) HTR2BHTR3ADAOGPR84CA12
SCHEMBL6954657 0.82 SMN1; SMN2 (0.44) HTR2BHTR3ADAOGPR84CA12
SCHEMBL6960622 0.82 SMN1; SMN2 (0.49) PPARGGPR84CA12CA1CA2
SCHEMBL8538683 0.81 KMT2A (0.39) HTR2BHTR3ADAOGPR84CA12
SCHEMBL6956148 0.79 PTGES (0.45) GPR84CA12CA1CA2HSD17B3
SCHEMBL6959678 0.78 SMN1; SMN2 (0.42) HTR2BHTR3AGPR84CA12CA1
SCHEMBL6950945 0.77 GSK3B (0.47) GPR84
SCHEMBL9041438 0.77 GPR84 (0.39) HTR2BHTR3ADAOGPR84CA12
SCHEMBL6952786 0.77 L3MBTL1 (0.39) HTR2BHTR3ADAOGPR84CA12

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-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed