SCHEMBL11116087

SCHEMBL11116087

CC(C)C[Al](CC(C)C)Oc1ccccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
ADRB2 P07550 6/20 0.42
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ADRA2A P08913 5/20 0.39
ADRA2B P18089 5/20 0.39
ADRA2C P18825 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB1 P08588 2/20 0.39
MAOA P21397 3/20 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
SCHEMBL11197784 0.86 HTR7 (0.42) HTR7ADRB2MAPK1TP53RAB9A
SCHEMBL1561072 0.83 ADRA2A (0.38) HTR7ADRB2MAPK1USP2LMNA
SCHEMBL16738293 0.80 ADRB2 (0.47) HTR7ADRB2MAPK1TP53RAB9A
SCHEMBL28665971 0.77 CYP1A2 (0.40) ADRB2TP53RAB9ALMNAKDM4E
SCHEMBL7002818 0.74 ADRB2 (0.36) HTR7ADRB2MAPK1TP53RAB9A
SCHEMBL1561473 0.74 LMNA (0.41) ADRB2LMNAMAPTALDH1A1ADRB1
SCHEMBL16738296 0.73 MAPK1 (0.47) HTR7ADRB2MAPK1TP53RAB9A
SCHEMBL15094850 0.73 ADRB2 (0.55) HTR7ADRB2MAPK1TP53RAB9A
SCHEMBL7735423 0.72 ADRA2A (0.38) HTR7ADRB2MAPK1USP2LMNA
SCHEMBL28652108 0.72 HTR1B (0.46) ADRB2MAPK1TP53LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0043125-B1 ALUMINIUM-ORGANIC COMPOUNDS, PREPARATION OF THESE COMPOUNDS, COSMETIC COMPOSITIONS CONTAINING THESE COMPOUNDS AS ACTIVE AGENTS AND USE OF THESE COMPOSITIONS TO COMBAT AND PREVENT SEBORRHOEA Richardson-Vicks, Inc. (US) 1984-11-28 EP disclosed
US-4421749-A ANTI-DANDRUFF HOFFMANN-LA ROCHE INC. (US) 1983-12-20 US disclosed
EP-0043125-A2 Aluminium-organic compounds, preparation of these compounds, cosmetic compositions containing these compounds as active agents and use of these compositions to combat and prevent seborrhoea Richardson-Vicks, Inc. (US) 1982-01-06 EP disclosed