SCHEMBL13639138

SCHEMBL13639138

CCC(=O)N(C)CCSc1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
UGT1A7 Q9HAW7 1/20 0.38
SLC22A11 Q9NSA0 1/20 0.38
PLA2G2A P14555 1/20 0.37
KMT2A Q03164 1/20 0.36
PLA2G4B P0C869 2/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL11308253 0.86 FDPS (0.47) SMN1; SMN2ALDH1A1RAB9AKMT2AFDPS
SCHEMBL5070274 0.82 THRA (0.52) THRATHRBHTTSMN1; SMN2ALDH1A1
SCHEMBL1017821 0.77 HTT (0.51) THRATHRBHTTSMN1; SMN2ALDH1A1
SCHEMBL9672930 0.75 THRB (0.56) THRATHRBHTTALDH1A1RAB9A
SCHEMBL6477081 0.74 THRA (0.54) THRATHRBHTTPLA2G2APLA2G4B
SCHEMBL504032 0.73 HTT (0.55) HTTSMN1; SMN2ALDH1A1RAB9ACA12
SCHEMBL10527851 0.72 RARB (0.53) HTTALDH1A1CA12CA2KMT2A
SCHEMBL11573788 0.72 THRA (0.60) THRATHRBALDH1A1PLA2G2AKMT2A
SCHEMBL7829330 0.71 THRA (0.62) THRATHRBALDH1A1KMT2APLA2G4B
SCHEMBL22438945 0.71 THRA (0.62) THRATHRBALDH1A1KMT2APLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481976-B1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2012-11-07 EP disclosed