SCHEMBL11470748

SCHEMBL11470748

C=C(C)CC(=O)OCc1ccco1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
POLB P06746 3/20 0.46
APEX1 P27695 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 4/20 0.44
GAA P10253 2/20 0.44
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 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
SCHEMBL11683444 0.87 ALDH1A1 (0.70) ALDH1A1MAPK1TP53MAPTHTT
SCHEMBL11002726 0.87 ALDH1A1 (0.68) ALDH1A1MAPK1TP53MAPTHTT
Ammonia Solution, Strong SCHEMBL11864495 0.86 ALDH1A1 (0.68) ALDH1A1MAPK1TP53MAPTHTT
SCHEMBL19434727 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1TP53MAPTHTT
SCHEMBL6285865 0.83 ALDH1A1 (0.64) ALDH1A1MAPK1TP53MAPTHTT
SCHEMBL19434694 0.83 ALDH1A1 (0.55) ALDH1A1MAPK1TP53MAPTHTT
SCHEMBL1071087 0.83 ALDH1A1 (0.55) ALDH1A1MAPK1TP53MAPTHTT
SCHEMBL3790125 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1TP53MAPTHTT
SCHEMBL36525 0.81 ALDH1A1 (0.70) ALDH1A1MAPK1TP53MAPTHTT
SCHEMBL151021 0.80 ALDH1A1 (0.69) ALDH1A1MAPK1TP53MAPTHTT

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-4209644-A PERFUMES TEIJIN LIMITED (JP) 1980-06-24 US disclosed