SCHEMBL22282956

SCHEMBL22282956

CCOC(=O)CNc1ccc(C(O)CCc2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.48
HTT P42858 1/20 0.48
GAA P10253 3/20 0.47
POLB P06746 1/20 0.45
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EPHX2 P34913 2/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
FFAR1 O14842 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL19922906 0.84 MEN1 (0.52) MAPTKDM4EGAAPOLBPPARG
SCHEMBL657243 0.82 KDM4E (0.64) MAPTKDM4EHTTGAAPOLB
Hydrochloric Acid SCHEMBL11536222 0.81 MAPT (0.65) MAPTKDM4EHTTGAAPOLB
Ethyl Propionate SCHEMBL28309072 0.78 F2 (0.50) MAPTKDM4EGAAPOLBPPARG
SCHEMBL19922886 0.78 SMN1; SMN2 (0.47) MAPTKDM4EGAAPOLBPPARG
SCHEMBL17118308 0.77 POLB (0.58) MAPTKDM4EHTTPOLBCA12
SCHEMBL5411982 0.76 POLB (0.62) MAPTKDM4EHTTGAAPOLB
SCHEMBL7103590 0.76 CYP4F2 (0.64) MAPTKDM4EHTTGAAPOLB
SCHEMBL11119802 0.75 AOC3 (0.47) GAAPPARGPPARAMEN1KMT2A
SCHEMBL7102017 0.74 POLB (0.56) MAPTKDM4EHTTPOLBCA12

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-3510022-B1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2020-08-05 EP disclosed