SCHEMBL4965070

SCHEMBL4965070

O=C(O)c1cc(-c2cc(C(=O)O)cc(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.79
FYN P06241 1/20 0.79
CYP1A2 P05177 1/20 0.47
LOXL2 Q9Y4K0 5/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
DHODH Q02127 2/20 0.40
LOX P28300 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA7 P43166 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.39
IL1RN P18510 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
SCHEMBL698240 0.89 LCK (0.91) LCKFYNCYP1A2KDM4EALDH1A1
SCHEMBL63440 0.89 LCK (1.00) LCKFYNCYP1A2KDM4EALDH1A1
SCHEMBL31031074 0.89 LCK (1.00) LCKFYNCYP1A2KDM4EALDH1A1
SCHEMBL15748027 0.88 LCK (0.68) LCKFYNCYP1A2LOXL2KDM4E
Hydrochloric Acid SCHEMBL9830310 0.86 LCK (0.86) LCKFYNCYP1A2KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL7022891 0.86 LCK (0.95) LCKFYNCYP1A2KDM4EALDH1A1
SCHEMBL7714616 0.86 LCK (0.86) LCKFYNCYP1A2KDM4EALDH1A1
SCHEMBL18192038 0.86 LCK (0.95) LCKFYNCYP1A2KDM4EALDH1A1
SCHEMBL144358 0.86 LCK (0.95) LCKFYNCYP1A2KDM4EALDH1A1
SCHEMBL433794 0.86 LCK (0.95) LCKFYNCYP1A2KDM4EALDH1A1

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
US-8496835-B2 Anion-exchange displacement chromatography process and anionic organic compounds for use as displacer compounds in anion-exchange displacement chromatography process SACHEM, INC. (US) 2013-07-30 US disclosed
EP-1960078-A2 ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS AND ANIONIC ORGANIC COMPOUNDS FOR USE AS DISPLACER COMPOUNDS IN ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS Sachem, Inc. (US) 2008-08-27 EP disclosed
WO-2007064809-A2 ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS AND ANIONIC ORGANIC COMPOUNDS FOR USE AS DISPLACER COMPOUNDS IN ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS SACHEM, INC. (US) 2007-06-07 WO disclosed
US-20070125712-A1 ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS AND ANIONIC ORGANIC COMPOUNDS FOR USE AS DISPLACER COMPOUNDS IN ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS PNC BANK, NATIONAL ASSOCIATION 2007-06-07 US disclosed