SCHEMBL6716877

SCHEMBL6716877

C=C(C)COc1cccc(S(=O)(=O)[O-])c1.C=C(C)COc1cccc(S(=O)(=O)[O-])c1.[Mg+2]

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.41
GPR174 Q9BXC1 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ALOX12 P18054 2/20 0.38
USP2 O75604 2/20 0.38
TP53 P04637 2/20 0.38
HSP90AA1 P07900 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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
Lithium Ion SCHEMBL6710093 0.97 KAT6A (0.41) KAT6AGPR174ALDH1A1LMNAHSD17B10
SCHEMBL8371253 0.97 KAT6A (0.41) KAT6AGPR174ALDH1A1LMNAHSD17B10
SCHEMBL6716898 0.97 KAT6A (0.41) KAT6AGPR174ALDH1A1LMNAHSD17B10
SCHEMBL6713982 0.97 KAT6A (0.41) KAT6AGPR174ALDH1A1LMNAHSD17B10
SCHEMBL8372476 0.85 ALDH1A1 (0.42) KAT6AGPR174ALDH1A1LMNAHSD17B10
SCHEMBL6712693 0.83 GPR174 (0.48) KAT6AGPR174ALDH1A1LMNAMEN1
SCHEMBL6714658 0.80 GPR174 (0.48) KAT6AGPR174ALDH1A1LMNAMEN1
Potassium Ion SCHEMBL6710228 0.80 GPR174 (0.48) KAT6AGPR174ALDH1A1LMNAMEN1
SCHEMBL1129346 0.80 GPR174 (0.48) KAT6AGPR174ALDH1A1LMNAMEN1
SCHEMBL6710230 0.80 GPR174 (0.48) KAT6AGPR174ALDH1A1LMNAMEN1

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