SCHEMBL2446936

SCHEMBL2446936

CC(C)COC(=O)C(=CC=C(c1ccccc1)c1ccccc1)C(=O)OCC(C)C.COC(=O)C(=CC=C(c1ccccc1)c1ccccc1)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 1/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
AKT1 P31749 1/20 0.36

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
SCHEMBL1576779 0.94 ALDH1A1 (0.50) ALDH1A1TSHRRAB9AKMT2ALMNA
SCHEMBL1576590 0.85 TSHR (0.48) TSHRLMNAMTNR1AMTNR1B
SCHEMBL14156332 0.78 MEN1 (0.60) ALDH1A1TSHRKMT2ALMNAHPGD
SCHEMBL2411929 0.76 CYP19A1 (0.36) TSHRKMT2ALMNAHPGDMEN1
SCHEMBL14018891 0.75 MEN1 (0.33) ALDH1A1TSHRKMT2AADRB2ADRB1
SCHEMBL7162160 0.74 ALDH1A1 (0.60) ALDH1A1TSHRKMT2ALMNAMEN1
SCHEMBL14017683 0.74 KMT2A (0.41) ALDH1A1TSHRKMT2ALMNAHPGD
SCHEMBL1576936 0.74 KMT2A (0.41) ALDH1A1TSHRKMT2ALMNAHPGD
SCHEMBL14135780 0.74 MEN1 (0.55) ALDH1A1TSHRKMT2ALMNAHPGD
SCHEMBL28492946 0.73 TSHR (0.46) ALDH1A1TSHRRAB9AKMT2ALMNA

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
WO-2011104228-A1 COMPOSITION COMPRISING A SUPERABSORBENT POLYMER AND A GEMINI SURFACTANT L'OREAL (FR) 2011-09-01 WO disclosed