SCHEMBL11094255

SCHEMBL11094255

O=S(=O)([O-])c1ccc(OC=CCCCCCCCF)cc1.O=S(=O)([O-])c1ccc(OC=CCCCCCCCF)cc1.[Ba+2]

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.31
MMP13 P45452 2/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Potassium Ion SCHEMBL11097660 0.97 MMP2 (0.31) MMP2MMP13MMP9MMP8NPC1
SCHEMBL11098807 0.96 NPC1 (0.31) NPC1LMNAHTTRAB9ASMN1; SMN2
SCHEMBL11094214 0.81 APP (0.33)
SCHEMBL29793949 0.79 AOC3 (0.33)
SCHEMBL30849907 0.77 NR1I2 (0.47) MMP2MMP13MMP9
SCHEMBL29048866 0.75 NR1I2 (0.47) MMP2MMP13MMP9NPC1LMNA
SCHEMBL28819472 0.68 CNR1 (0.44)
Potassium Ion SCHEMBL10497546 0.66 TSHR (0.53) MMP2MMP13NPC1RAB9A
Potassium Ion SCHEMBL10497589 0.66 TSHR (0.53) MMP2MMP13NPC1RAB9A
SCHEMBL21879901 0.65 PKM (0.44) NPC1LMNAHTTRAB9ASMN1; SMN2

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-4438001-A ANTISTATIC AGENTS TAKEMOTOYUSHI CO. LTD. (JP) 1984-03-20 US disclosed