SCHEMBL21002000

SCHEMBL21002000

O=C(O)/C=C/c1c[nH]nc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NFKB1 P19838 1/20 0.35
CA4 P22748 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.34
TDO2 P48775 1/20 0.34
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
EIF2AK2 P19525 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
BLM P54132 1/20 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
SCHEMBL20524328 0.78 KDM4E (0.33) KDM4EALDH1A1GAA
SCHEMBL20168403 0.75
SCHEMBL21001972 0.73 IDO1 (0.49) ALDH1A1CYP3A4
SCHEMBL11557166 0.73 CA1 (0.39) CA1CA2NFKB1CA4KDM4E
SCHEMBL11557165 0.73 CA1 (0.39) CA1CA2NFKB1CA4KDM4E
SCHEMBL20524312 0.73 NFKB1 (0.39) CA1CA2NFKB1CA4KDM4E
SCHEMBL7489005 0.73 NFKB1 (0.39) CA1CA2NFKB1CA4KDM4E
SCHEMBL20524343 0.73 NFKB1 (0.39) CA1CA2NFKB1CA4KDM4E
SCHEMBL21001878 0.72 KDM4E (0.33) CA1CA2NFKB1CA4KDM4E
SCHEMBL2214727 0.72 HCAR2 (0.42) ALDH1A1HCAR2

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-2019103897-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. (US) 2019-05-31 WO disclosed