SCHEMBL11030449

SCHEMBL11030449

O=C([O-])c1cccc(Cl)c1OCCOc1ccccc1.O=C([O-])c1cccc(Cl)c1OCCOc1ccccc1.O=C([O-])c1cccc(Cl)c1OCCOc1ccccc1.[Al+3]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
ALDH1A1 P00352 2/20 0.48
PPARG P37231 1/20 0.46
KCNA5 P22460 1/20 0.45
KMT2A Q03164 4/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 2/20 0.43
HTT P42858 2/20 0.43
PARP10 Q53GL7 1/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL11031950 0.84 TSHR (0.41) RAB9ANPC1ALDH1A1KMT2AKDM4E
SCHEMBL11059263 0.79 KMT2A (0.45) RAB9ANPC1ALDH1A1PPARGKMT2A
SCHEMBL11054339 0.79 LMNA (0.47) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL10697512 0.76 ALDH1A1 (0.54) RAB9ANPC1ALDH1A1PPARGKCNA5
SCHEMBL694862 0.73 PKM (0.67) ALDH1A1PPARGKMT2APKMHSD17B10
SCHEMBL15869671 0.72 KDM4E (0.58) RAB9APKMKDM4ETHRBMAPT
Lithium Ion SCHEMBL28703021 0.72 KMT2A (0.46) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL28920767 0.72 KMT2A (0.46) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL29113266 0.72 KMT2A (0.46) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL29113268 0.72 KMT2A (0.46) ALDH1A1KMT2AMEN1KDM4EHPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049498-B1 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) 1985-01-30 EP claimed
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
EP-0049498-B1 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) 1985-01-30 EP disclosed
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