SCHEMBL11264470

SCHEMBL11264470

CCOC(=O)C(C(=O)CC)C(C(C)=O)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
HTT P42858 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL11251240 0.90 KMT2A (0.39) MAPTGAATRPV1ALDH1A1NPC1
SCHEMBL7061962 0.81 TP53 (0.42) MAPTGAATRPV1ALDH1A1NPC1
SCHEMBL9052329 0.77 MMP8 (0.50) MAPTGAATRPV1ALDH1A1NPC1
SCHEMBL9515045 0.77 GAA (0.38) MAPTGAATRPV1ALDH1A1NPC1
SCHEMBL9515051 0.77 GAA (0.38) MAPTGAATRPV1ALDH1A1NPC1
SCHEMBL28825411 0.76 MAPT (0.44) MAPTGAATRPV1ALDH1A1NPC1
SCHEMBL16322386 0.76 PSEN1 (0.49) MAPTGAATRPV1ALDH1A1NPC1
SCHEMBL28964384 0.75 HTT (0.41) MAPTGAATRPV1ALDH1A1NPC1
SCHEMBL6788771 0.75 MAPT (0.43) MAPTGAATRPV1ALDH1A1NPC1
SCHEMBL7100159 0.75 HTT (0.43) MAPTGAATRPV1ALDH1A1NPC1

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-4360520-A 1,4-Dihydropyridazine compounds, and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed