SCHEMBL6769019

SCHEMBL6769019

COc1cccc(CN(CC(OC)OC)S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 7/20 0.58
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA4 P22748 2/20 0.51
CA9 Q16790 2/20 0.51
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
CNR2 P34972 4/20 0.49
CXCR3 P49682 1/20 0.48
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL8709377 0.90 TAS2R14 (0.56) TAS2R14CA12CA1CA2CA4
SCHEMBL11497159 0.85 CNR2 (0.63) TAS2R14ALDH1A1POLBCNR2MAPT
SCHEMBL12205672 0.84 CNR2 (0.56) TAS2R14POLBCNR2MAPTPKM
SCHEMBL30701971 0.80 CNR2 (0.46) TAS2R14CNR2LMNA
SCHEMBL27192066 0.80 CNR2 (0.46) TAS2R14CNR2LMNA
SCHEMBL25307327 0.80 MAPT (0.45) TAS2R14CA12CA1CA2CA4
SCHEMBL22451561 0.80 TAS2R14 (0.64) TAS2R14CA12CA1CA2CA4
SCHEMBL6765985 0.80 ALDH1A1 (0.44) TAS2R14ALDH1A1CNR2MAPTPKM
SCHEMBL2986080 0.79 CNR2 (0.43) TAS2R14POLBCNR2MAPTPKM
SCHEMBL1705734 0.79 CNR2 (0.44) TAS2R14CNR2MAPTPKMLMNA

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
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