SCHEMBL11059263

SCHEMBL11059263

CCOc1c(Cl)cccc1C(=O)[O-].CCOc1c(Cl)cccc1C(=O)[O-].CCOc1c(Cl)cccc1C(=O)[O-].[Al+3]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
ABL1 P00519 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RIN1 Q13671 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
NPC1 O15118 2/20 0.39
PPARG P37231 1/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 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
SCHEMBL11054339 0.84 LMNA (0.47) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL31173665 0.83 KMT2A (0.53) KMT2AALDH1A1RAB9AGAAMEN1
SCHEMBL18700984 0.83 KMT2A (0.53) KMT2AALDH1A1RAB9AGAAMEN1
SCHEMBL11031950 0.83 TSHR (0.41) KMT2AALDH1A1RAB9AGAAMAPT
SCHEMBL29035604 0.82 HCRTR1 (0.47) KMT2ARAB9AGAAMEN1LMNA
SCHEMBL3330772 0.81 TSHR (0.58) KMT2AALDH1A1L3MBTL1ATMHTT
SCHEMBL8262732 0.81 NR4A2 (0.47) KMT2AALDH1A1RAB9AGAAMEN1
SCHEMBL11063021 0.81 ALDH1A1 (0.43) KMT2AALDH1A1RAB9AGAAMEN1
SCHEMBL16957106 0.80 L3MBTL1 (0.45) KMT2AALDH1A1RAB9AGAAMEN1
SCHEMBL5055100 0.79 KMT2A (0.44) KMT2AALDH1A1RAB9AGAAMEN1

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-4434178-A ORGANOALUMINUM CHLORIDE COMPOUNDS HOFFMANN-LA ROCHE, INC. (US) 1984-02-28 US claimed
EP-0049498-A1 Aluminium compounds that contain an organic rest, anti-sudorific agent containing these compounds as active components and application of this agent as an anti-sudorific agent Richardson-Vicks, Inc. (US) 1982-04-14 EP claimed
US-4434178-A ORGANOALUMINUM CHLORIDE COMPOUNDS HOFFMANN-LA ROCHE, INC. (US) 1984-02-28 US disclosed
EP-0049498-A1 Aluminium compounds that contain an organic rest, anti-sudorific agent containing these compounds as active components and application of this agent as an anti-sudorific agent Richardson-Vicks, Inc. (US) 1982-04-14 EP disclosed