SCHEMBL6765985

SCHEMBL6765985

COc1cc(CN(CC(OC)OC)S(=O)(=O)c2ccc(C)cc2)ccc1I

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TAS2R14 Q9NYV8 6/20 0.44
CNR2 P34972 8/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
THRB P10828 1/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39

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
SCHEMBL25307327 0.87 MAPT (0.45) ALDH1A1TAS2R14CNR2LMNATSHR
SCHEMBL12205672 0.84 CNR2 (0.56) TAS2R14CNR2MAPTPKM
SCHEMBL30701971 0.81 CNR2 (0.46) TAS2R14CNR2LMNATSHRHTT
SCHEMBL27192066 0.81 CNR2 (0.46) TAS2R14CNR2LMNATSHRHTT
SCHEMBL3218808 0.80 ALDH1A1 (0.43) ALDH1A1TAS2R14CNR2LMNATSHR
SCHEMBL6769019 0.80 TAS2R14 (0.58) ALDH1A1TAS2R14CNR2LMNAMAPT
SCHEMBL1705206 0.79 CNR2 (0.60) TAS2R14CNR2LMNATSHRHTT
SCHEMBL1411858 0.79 CNR2 (0.50) TAS2R14CNR2MAPTPKM
SCHEMBL12451189 0.79 CNR2 (0.50) TAS2R14CNR2MAPTPKM
SCHEMBL11497159 0.78 CNR2 (0.63) ALDH1A1TAS2R14CNR2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016112088-A1 ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS SPERO THERAPEUTICS, INC. (US) 2016-07-14 WO disclosed
WO-2016112088-A1 ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS SPERO THERAPEUTICS, INC. (US) 2016-07-14 WO disclosed
US-6825181-B1 ORALLY ADMINISTRATED TO EXHIBIT A STRONG ANTICOAGULANT EFFECT BY INHIBITING ACTIVATED BLOOD- COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
EP-1065200-A1 AMINOISOQUINOLINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2001-01-03 EP disclosed