SCHEMBL5289567

SCHEMBL5289567

CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.64
FDPS P14324 3/20 0.51
QPCT Q16769 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
EGLN3 Q9H6Z9 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL2593831 0.95 TBXAS1 (0.72) TBXAS1FDPSQPCTMAPK1SMN1; SMN2
SCHEMBL17203424 0.94 TBXAS1 (0.75) TBXAS1FDPSMAPK1SMN1; SMN2HTT
SCHEMBL20336232 0.94 TBXAS1 (0.75) TBXAS1FDPSMAPK1SMN1; SMN2HTT
Phosphoric Acid SCHEMBL28028750 0.93 TBXAS1 (0.68) TBXAS1FDPSQPCTMAPK1SMN1; SMN2
Phosphoramidic Acid SCHEMBL2236407 0.90 TBXAS1 (0.64) TBXAS1FDPSQPCTMAPK1SMN1; SMN2
SCHEMBL6544543 0.90 FDPS (0.54) TBXAS1FDPSQPCTL3MBTL1EGLN3
Phosphoric Acid SCHEMBL29074288 0.88 TBXAS1 (0.77) TBXAS1FDPSQPCTMAPK1SMN1; SMN2
Phosphoric Acid SCHEMBL29194112 0.87 TBXAS1 (0.80) TBXAS1FDPSMAPK1SMN1; SMN2HTT
Phosphoric Acid SCHEMBL29193982 0.87 TBXAS1 (0.80) TBXAS1FDPSMAPK1SMN1; SMN2HTT
Phosphoric Acid SCHEMBL29193958 0.87 TBXAS1 (0.80) TBXAS1FDPSMAPK1SMN1; SMN2HTT

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO claimed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO claimed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed