SCHEMBL29951077

SCHEMBL29951077

O=CC1CCCC(=Cc2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
CYP1A2 P05177 2/20 0.54
F3 P13726 1/20 0.54
ALDH1A1 P00352 5/20 0.53
HTT P42858 1/20 0.53
MGAM O43451 3/20 0.46
GAA P10253 3/20 0.46
SI P14410 3/20 0.46
MGAM2 Q2M2H8 3/20 0.46
MIF P14174 1/20 0.45
EGFR P00533 1/20 0.44
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
MAOB P27338 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASP3 P42574 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
SCHEMBL3437937 0.79 HPGD (0.61) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL3437935 0.79 HPGD (0.61) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL8675213 0.79 HPGD (0.61) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL11577013 0.77 MAPT (0.56) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL11577018 0.77 MAPT (0.56) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL9047504 0.76 MAPT (0.82) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL9047510 0.76 MAPT (0.82) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL9047330 0.75 MAPT (0.54) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL9047333 0.75 MAPT (0.54) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL10394817 0.72 HPGD (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed