SCHEMBL28340805

SCHEMBL28340805

COc1ccc(OC(=O)CCC(C)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.66
LMNA P02545 3/20 0.66
MAPT P10636 3/20 0.66
HSD17B10 Q99714 2/20 0.66
ALDH1A1 P00352 2/20 0.66
HTT P42858 2/20 0.66
GAA P10253 3/20 0.53
MEN1 O00255 2/20 0.50
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
SLC6A2 P23975 1/20 0.47
RAB9A P51151 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8631220 0.92 KMT2A (0.76) KMT2ALMNAMAPTHSD17B10ALDH1A1
SCHEMBL14579683 0.86 CYP1A2 (0.62) KMT2ALMNAMAPTHSD17B10ALDH1A1
SCHEMBL23843934 0.85 KMT2A (0.60) KMT2ALMNAMAPTHSD17B10ALDH1A1
SCHEMBL13854911 0.85 LMNA (0.72) KMT2ALMNAMAPTHSD17B10ALDH1A1
SCHEMBL19690708 0.85 HTT (0.66) KMT2ALMNAMAPTHSD17B10ALDH1A1
SCHEMBL14984017 0.84 KMT2A (0.64) KMT2ALMNAMAPTHSD17B10ALDH1A1
SCHEMBL13557799 0.84 KMT2A (0.64) KMT2ALMNAMAPTHSD17B10ALDH1A1
SCHEMBL18907050 0.83 KMT2A (0.50) KMT2ALMNAMAPTHSD17B10ALDH1A1
SCHEMBL28370277 0.83 KMT2A (0.58) KMT2ALMNAMAPTHSD17B10ALDH1A1
SCHEMBL3957120 0.83 KMT2A (0.63) KMT2ALMNAMAPTHSD17B10ALDH1A1

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-110621678-A Antitumor compounds 法马马有限公司 2019-12-27 CN disclosed