SCHEMBL6269059

SCHEMBL6269059

CNc1ccc(S(=O)(=O)c2ccc(CCN(C[C@H](OC3CCCCO3)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)cc1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
ADRB3 P13945 2/20 0.33
CCR5 P51681 2/20 0.33
CA2 P00918 1/20 0.32
IDH2 P48735 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
FKBP1A P62942 1/20 0.31
FKBP4 Q02790 1/20 0.31
FKBP5 Q13451 1/20 0.31

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
SCHEMBL6270623 0.94 PTGER4 (0.38) PTGER4ADRB3CCR5CA2IDH2
SCHEMBL6804273 0.92 PTGER4 (0.34) PTGER4ADRB3CCR5IDH2
SCHEMBL6804277 0.92 PTGER4 (0.34) PTGER4ADRB3CCR5IDH2
SCHEMBL6802975 0.88 PTGER4 (0.37) PTGER4ADRB3CCR5CA2IDH2
SCHEMBL6809306 0.88 PTGER4 (0.34) PTGER4ADRB3CCR5CA2IDH2
SCHEMBL6809311 0.88 PTGER4 (0.34) PTGER4ADRB3CCR5CA2IDH2
SCHEMBL6802969 0.88 PTGER4 (0.37) PTGER4ADRB3CCR5CA2IDH2
SCHEMBL6680691 0.88 PTGER4 (0.37) PTGER4ADRB3CCR5CA2FKBP1A
SCHEMBL6804698 0.88 PTGER4 (0.37) PTGER4ADRB3CCR5CA2FKBP1A
SCHEMBL6804860 0.86 PTGER4 (0.33) PTGER4ADRB3CCR5IDH2

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
WO-2005110981-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-11-24 WO disclosed