SCHEMBL29905006

SCHEMBL29905006

CCCC(=O)Oc1c(OC)cccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
RECQL P46063 1/20 0.55
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.50
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 1/20 0.43
APEX1 P27695 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL29905005 0.88 MAPK1 (0.55) KDM4EKMT2AMEN1RECQLMAPK1
SCHEMBL28911867 0.88 L3MBTL1 (0.44) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL8486510 0.82 PTGER1 (0.53) KDM4EKMT2AMEN1RECQLMAPK1
SCHEMBL8487851 0.82 KDM4E (0.50) KDM4EKMT2AMEN1RECQLMAPK1
SCHEMBL11615593 0.82 KDM4E (0.64) KDM4EKMT2AMEN1RECQLMAPK1
Alcohol SCHEMBL27668805 0.81 NPC1 (0.55) KDM4EKMT2AMEN1MAPK1HTT
SCHEMBL7176813 0.81 KDM4E (0.49) KDM4EKMT2AMEN1RECQLMAPK1
SCHEMBL7172325 0.80 MAPK1 (0.81) KDM4EKMT2AMEN1MAPK1HTT
SCHEMBL1697677 0.80 KDM4E (0.82) KDM4EKMT2AMEN1RECQLMAPK1
Hydrochloric Acid SCHEMBL28580531 0.79 SMN1; SMN2 (0.43) KDM4EKMT2AMEN1RECQLHPGD

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-113880717-B Diester group substituted methyl salicylate analogue, and preparation method and application thereof 中国农业大学 2022-09-13 CN disclosed