Sugi Predict

Sugi Predict / Compounds / SCHEMBL6616657

SCHEMBL6616657

SCHEMBL6616657

COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O)OC2CCOCC2)cc1.COc1ccc(S(=O)(=O)NOC2CCOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CTSD P07339 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP3A5 P20815 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ TBXAS1 P24557 1/20 0.48
▸ ADRA1A P35348 1/20 0.48

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
SCHEMBL6631772 0.94 MLNR (0.53) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL6620249 0.87 MLNR (0.52) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL6796299 0.85 MLNR (0.66) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL6616660 0.85 MLNR (0.52) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL6796302 0.85 MLNR (0.66) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL4863840 0.85 MLNR (0.52) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL4863844 0.85 MLNR (0.52) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL14065842 0.85 MLNR (0.66) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL4874535 0.84 MLNR (0.60) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL4874539 0.84 MLNR (0.60) MLNRABCB11LMNACTSDCYP3A4

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-1086076-B1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2004-12-22 — — EP disclosed