SCHEMBL13606121

SCHEMBL13606121

CC(O)COc1ccc(S(=O)(=O)c2ccc(OCC(O)COc3ccc(C(C)(C)c4ccc(O)cc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
HIF1A Q16665 1/20 0.49
AR P10275 1/20 0.48
ELANE P08246 1/20 0.46
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
ADRB1 P08588 4/20 0.43
CA12 O43570 3/20 0.43
ADRB2 P07550 3/20 0.43
ADRB3 P13945 2/20 0.41
TSHR P16473 1/20 0.41
CA4 P22748 2/20 0.40

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
SCHEMBL1836005 0.91 GAA (0.53) ELANEPTGS1SLC6A2GAAPKM
SCHEMBL823191 0.85 HIF1A (0.55) HTTHIF1AARPTGS1SLC6A2
SCHEMBL13892365 0.85 HIF1A (0.55) HTTHIF1AARPTGS1SLC6A2
SCHEMBL1395596 0.84 GAA (0.56) ELANEPTGS1SLC6A2GAAPKM
SCHEMBL51473 0.84 GAA (0.56) ELANEPTGS1SLC6A2GAAPKM
SCHEMBL13851882 0.84 HTT (0.65) HTTHIF1AARPTGS1SLC6A2
SCHEMBL13567688 0.84 HTT (0.65) HTTHIF1AARPTGS1SLC6A2
SCHEMBL9421505 0.81 LMNA (0.58) ELANEKMT2AGAAPKMALDH1A1
SCHEMBL9889752 0.81 HSD11B1 (0.52) HTTHIF1AARKMT2AGAA
SCHEMBL376300 0.80 HIF1A (0.61) HTTHIF1AARKMT2AGAA

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
US-20090321015-A1 ADHESIVE COMPOSITION COMPRISING POLYHYDROXYETHER AND ORGANIC PARTICLES, AND METHOD FOR CONNECTING CIRCUIT BOARD USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2009-12-31 US disclosed