SCHEMBL9047330

SCHEMBL9047330

O=C1/C(=C\c2ccccc2)CCCC1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
HPGD P15428 3/20 0.54
CYP1A2 P05177 2/20 0.51
F3 P13726 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HTT P42858 1/20 0.50
MGAM O43451 3/20 0.44
GAA P10253 3/20 0.44
SI P14410 3/20 0.44
MGAM2 Q2M2H8 3/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
HSD11B1 P28845 1/20 0.43
MIF P14174 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 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
SCHEMBL9047333 1.00 MAPT (0.54) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL9048176 0.91 MAPT (0.56) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL9048905 0.91 MAPT (0.56) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL11790820 0.81 MAPT (0.46) MAPTHPGDALDH1A1HTTGAA
SCHEMBL11790814 0.81 MAPT (0.46) MAPTHPGDALDH1A1HTTGAA
SCHEMBL6868060 0.81 HSP90AA1 (0.62) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL9046525 0.81 MAPT (0.47) MAPTHPGDCYP1A2ALDH1A1DDB1
SCHEMBL14527555 0.81 HSP90AA1 (0.62) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL5171544 0.81 HSP90AA1 (0.62) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL9047291 0.81 MAPT (0.47) MAPTHPGDCYP1A2F3ALDH1A1

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