SCHEMBL7211561

SCHEMBL7211561

CCOc1[c]c(OCCc2ccc(NS(C)(=O)=O)cc2)ccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.46
CHRM2 P08172 1/20 0.46
ACHE P22303 1/20 0.46
AGTR1 P30556 1/20 0.46
DRD3 P35462 1/20 0.46
CACNA1D Q01668 1/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
AR P10275 1/20 0.43
ADRB2 P07550 3/20 0.41

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
SCHEMBL7861194 0.83 PTGS2 (0.41) KCNH2
SCHEMBL3901614 0.81 PPARA (0.50) KDM4E
SCHEMBL7860273 0.76 ESR1 (0.39) CHRM2ACHELMNASMN1; SMN2KDM4E
SCHEMBL7858929 0.74 SLC6A4 (0.36) LMNAALDH1A1HTTNPC1RAB9A
SCHEMBL5755549 0.71 HPGD (0.59) CACNA1FCHRM2ACHEAGTR1DRD3
SCHEMBL8310231 0.70 HPGD (0.68) CACNA1FCHRM2ACHEAGTR1DRD3
SCHEMBL128399 0.70 NQO1 (0.43) SMN1; SMN2KDM4EALDH1A1
Alcohol SCHEMBL9592748 0.70 HPGD (0.53) CACNA1FCHRM2ACHEAGTR1DRD3
SCHEMBL6053157 0.69 L3MBTL1 (0.39) KDM4EHTTNPC1RAB9A
SCHEMBL12678490 0.69 LMNA (0.81) CACNA1FCHRM2ACHEAGTR1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084102-B1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
EP-1084102-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS AstraZeneca AB (SE) 2001-03-21 EP disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 WO disclosed