SCHEMBL7779173

SCHEMBL7779173

CCCCCCCCCCS(=O)(=O)c1ccc(OCC(=O)OCC)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.66
GAA P10253 1/20 0.66
PPARA Q07869 2/20 0.55
PPARG P37231 1/20 0.55
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
MMP1 P03956 1/20 0.51
TSHR P16473 3/20 0.50
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL28405319 0.81 PPARA (0.71) NPSR1GAAPPARAPPARGSMN1; SMN2
SCHEMBL15922116 0.81 PPARA (0.71) NPSR1GAAPPARAPPARGSMN1; SMN2
SCHEMBL12869146 0.79 PPARA (0.69) NPSR1GAAPPARAPPARGTHRB
SCHEMBL7408448 0.78 KMT2A (0.66) NPSR1GAAPOLBSMN1; SMN2MMP1
SCHEMBL11817150 0.77 PPARA (0.63) NPSR1GAAPPARAPPARGALDH1A1
SCHEMBL2346864 0.77 GAA (0.77) NPSR1GAAPOLBSMN1; SMN2TSHR
SCHEMBL11364339 0.77 PPARA (0.51) NPSR1GAAPPARAPPARGPOLB
SCHEMBL11366850 0.77 PPARA (0.51) NPSR1GAAPPARAPPARGPOLB
SCHEMBL9651741 0.77 PPARA (0.67) NPSR1GAAPPARAPPARGALDH1A1
SCHEMBL8798490 0.77 CA12 (0.58) NPSR1GAAPPARGPOLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135377-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-09-26 EP disclosed
WO-2000034254-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-06-15 WO disclosed