SCHEMBL6714658

SCHEMBL6714658

C=C(C)COc1ccc(S(=O)(=O)[O-])cc1.C=C(C)COc1ccc(S(=O)(=O)[O-])cc1.[Ba+2]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.48
ALDH1A1 P00352 6/20 0.46
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 2/20 0.40
PKM P14618 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
KAT6A Q92794 1/20 0.39
CYP2C9 P11712 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
SCHEMBL6710230 0.97 GPR174 (0.48) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL6712693 0.97 GPR174 (0.48) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL1129346 0.97 GPR174 (0.48) GPR174ALDH1A1GAANPSR1CHRNB2
Potassium Ion SCHEMBL6710228 0.97 GPR174 (0.48) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL5400294 0.84 GPR174 (0.49) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL1128713 0.84 GPR174 (0.49) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL14704081 0.84 GPR174 (0.49) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL6716898 0.83 KAT6A (0.41) GPR174ALDH1A1NPSR1CHRNB2CHRNB4
Ammonia Solution, Strong SCHEMBL8370311 0.83 GPR174 (0.48) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL10468820 0.83 GPR174 (0.48) GPR174ALDH1A1GAANPSR1CHRNB2

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-6740722-B2 Low density acrylic fiber SOLUTIA INC. 2004-05-25 US disclosed
US-20030057593-A1 Low density acrylic fiber ASCEND PERFORMANCE MATERIALS OPERATIONS LLC 2003-03-27 US disclosed