SCHEMBL20439756

SCHEMBL20439756

CCOC(=O)N1C2Cc3oc(=O)c(C(=O)OC)cc3C1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
CA12 O43570 3/20 0.35
CA2 P00918 3/20 0.35
CA3 P07451 3/20 0.35
CA6 P23280 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
CA4 P22748 2/20 0.35
MAOA P21397 4/20 0.34
MIF P14174 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
CA5A P35218 1/20 0.34
PFKFB3 Q16875 1/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL8187989 0.90 ATM (0.37) MAOBKDM4EALDH1A1HPGDCA12
SCHEMBL8187218 0.68 MEN1 (0.41) MAOBKDM4EALDH1A1HPGDCA12
SCHEMBL2060555 0.65 SIRT6 (0.40) ALDH1A1HPGDMAPTLMNATP53
SCHEMBL9672632 0.65 MAOB (0.56) MAOBKDM4EALDH1A1HPGDCA12
SCHEMBL2060564 0.63 CHRM1 (0.43) ALDH1A1
SCHEMBL9802734 0.62 MAOB (0.45) MAOBKDM4EALDH1A1HPGDCA12
Malonic Acid Diethyl Ester SCHEMBL29093543 0.61 KDM4E (0.78) MAOBKDM4EALDH1A1HPGDCA12
SCHEMBL8163031 0.60 KDM4E (0.51) MAOBKDM4EALDH1A1HPGDCA12
SCHEMBL8196361 0.59 ALDH1A1 (0.46) MAOBKDM4EALDH1A1HPGDCA12
SCHEMBL13045376 0.58 ALDH1A1 (0.40) KDM4EALDH1A1GAAMAPK1POLB

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
WO-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed