SCHEMBL9046529

SCHEMBL9046529

O=C1C(=Cc2ccc(Cl)cc2)CCC1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HSP90AA1 P07900 3/20 0.46
MITF O75030 1/20 0.46
MAOB P27338 4/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
PIM1 P11309 1/20 0.42
CCR6 P51684 3/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL9046525 1.00 MAPT (0.47) MAPTHPGDHSP90AA1MITFMAOB
SCHEMBL9048176 0.90 MAPT (0.56) MAPTHPGDHSP90AA1MITFMAOB
SCHEMBL9048905 0.90 MAPT (0.56) MAPTHPGDHSP90AA1MITFMAOB
SCHEMBL9047297 0.86 MAPT (0.47) MAPTHPGDHSP90AA1MITFDDB1
SCHEMBL9047291 0.86 MAPT (0.47) MAPTHPGDHSP90AA1MITFDDB1
SCHEMBL9047333 0.81 MAPT (0.54) MAPTHPGDHSP90AA1MITFMAOB
SCHEMBL9047330 0.81 MAPT (0.54) MAPTHPGDHSP90AA1MITFMAOB
SCHEMBL8883080 0.79 HSP90AA1 (0.47) MAPTHPGDHSP90AA1MITFMAOB
SCHEMBL8852543 0.79 HSP90AA1 (0.47) MAPTHPGDHSP90AA1MITFMAOB
SCHEMBL8154561 0.79 HSP90AA1 (0.47) MAPTHPGDHSP90AA1MITFMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0378953-B1 Benzylidene azolyl methyl cycloalkane and its use as a fungicide RHONE POULENC AGROCHIMIE (FR) 1996-06-05 EP claimed
EP-0378953-B1 Benzylidene azolyl methyl cycloalkane and its use as a fungicide RHONE POULENC AGROCHIMIE (FR) 1996-06-05 EP disclosed