SCHEMBL8438693

SCHEMBL8438693

C=CCC(C)(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.46
CES1 P23141 3/20 0.44
AKT1 P31749 1/20 0.44
MAPT P10636 2/20 0.44
SRC P12931 1/20 0.41
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 1/20 0.39
ELANE P08246 1/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 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
SCHEMBL822013 0.93 ALDH1A1 (0.50) ALDH1A1TSHRHTTCES1AKT1
SCHEMBL28888069 0.86 SRC (0.51) ALDH1A1TSHRHTTCES1MAPT
SCHEMBL10956205 0.85 ALDH1A1 (0.49) ALDH1A1TSHRHTTCES1AKT1
SCHEMBL11086781 0.84 MAPT (0.50) ALDH1A1TSHRHTTCES1AKT1
SCHEMBL8898434 0.80 TSHR (0.44) ALDH1A1TSHRHTTCES1AKT1
SCHEMBL3305369 0.79 ALDH1A1 (0.50) ALDH1A1TSHRHTTCES1AKT1
SCHEMBL9164231 0.78 SMN1; SMN2 (0.44) ALDH1A1TSHRHTTKMT2AHPGD
SCHEMBL10488716 0.78 ALDH1A1 (0.49) ALDH1A1TSHRHTTCES1AKT1
SCHEMBL278253 0.78 ALDH1A1 (0.49) ALDH1A1TSHRHTTCES1AKT1
SCHEMBL31506638 0.77 ALDH1A1 (0.45) ALDH1A1TSHRHTTCES1AKT1

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
EP-0965656-A1 Method for selective activation and metallisation of materials University College Cork-National University of Ireland, Cork (IE) 1999-12-22 EP disclosed
EP-0646605-B1 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC (US) 1999-06-02 EP disclosed
US-5468704-A Comprising titanium halide or halogen alcoholate supported on magnesium halide and a diketone electron donor; preparing polypropylene of high isotacticity MONTELL NORTH AMERICA INC. (US) 1995-11-21 US disclosed
EP-0646605-A1 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC. (US) 1995-04-05 EP disclosed