SCHEMBL27459752

SCHEMBL27459752

C=CCOc1cc(C(C)CC(=O)OCC)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
TOP2A P11388 1/20 0.40
KDM4E B2RXH2 3/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ATM Q13315 1/20 0.38
TRPM8 Q7Z2W7 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPA1 O75762 1/20 0.38
FLT3 P36888 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL5685301 0.83 HSD17B2 (0.54) ALDH1A1MAPTGAAMAOBMEN1
SCHEMBL8417819 0.83 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL8419894 0.81 POLB (0.45) ALDH1A1SMN1; SMN2KDM4EHTTL3MBTL1
SCHEMBL6580057 0.74 HSD17B2 (0.67) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL13715441 0.72 KMT2A (0.49) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL13715515 0.72 KMT2A (0.49) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL3665975 0.72 KMT2A (0.49) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL5691331 0.71 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL5670458 0.71 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL12883164 0.71 ACHE (0.59) ALDH1A1MAPTGAAKDM4EHTT

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
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed