SCHEMBL8765701

SCHEMBL8765701

CC(=O)Oc1ccc([O])c(OC(C)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
MAPT P10636 3/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 4/20 0.50
CYP3A4 P08684 2/20 0.48
ACHE P22303 2/20 0.47
BACE1 P56817 1/20 0.47
POLB P06746 2/20 0.46
PKM P14618 2/20 0.46
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TTR P02766 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL1866980 0.83 KDM4E (0.67) KDM4EMAPTMAPK1LMNACYP3A4
SCHEMBL29440769 0.83 KDM4E (0.67) KDM4EMAPTMAPK1LMNACYP3A4
SCHEMBL8765708 0.80 KDM4E (0.62) KDM4EMAPTMAPK1LMNACYP3A4
SCHEMBL29535063 0.80 KDM4E (0.58) KDM4EMAPTMAPK1LMNACYP3A4
SCHEMBL2541390 0.80 KDM4E (0.58) KDM4EMAPTMAPK1LMNACYP3A4
SCHEMBL12121608 0.80 KDM4E (0.68) KDM4EMAPTMAPK1LMNACYP3A4
SCHEMBL7285882 0.78 KDM4E (0.61) KDM4EMAPTMAPK1LMNACYP3A4
SCHEMBL11386187 0.78 KDM4E (0.77) KDM4EMAPTMAPK1LMNACYP3A4
SCHEMBL19484789 0.78 MAPT (0.78) KDM4EMAPTMAPK1LMNACYP3A4
SCHEMBL2729632 0.78 TSHR (0.64) KDM4EMAPTMAPK1BACE1PKM

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
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed