SCHEMBL9664249

SCHEMBL9664249

CCOC(=O)CCCCC(C1=C(C)C(=O)c2ccccc2C1=O)c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
HKDC1 Q2TB90 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPK1 P28482 1/20 0.44
MPI P34949 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL7821080 0.89 CDC25A (0.42) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL7828948 0.88 TBXAS1 (0.43) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL7829454 0.85 HDAC1 (0.48)
SCHEMBL7820480 0.85 MMP1 (0.39) KMT2AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL7829923 0.84 HDAC1 (0.49)
SCHEMBL7832521 0.84 CNR2 (0.39) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL7831395 0.83 CNR2 (0.38) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL7821082 0.82 GAA (0.40) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL9664244 0.82 HSP90AA1 (0.40) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL7820846 0.82 TNF (0.39) MEN1KMT2AALDH1A1LMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0171251-B2 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-23 EP disclosed
EP-0171251-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-06-27 EP disclosed