SCHEMBL19209475

SCHEMBL19209475

CCOC(=O)CCc1cc(OC)ccc1-c1ccc(-c2ccc(OC)c(Cl)c2)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP1 P29466 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIM1 P11309 1/20 0.39
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
TP53 P04637 1/20 0.38
MAPK10 P53779 1/20 0.38
S1PR1 P21453 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL19257720 0.91 XDH (0.42) XDHNPC1RAB9AHSD17B10KDM4E
SCHEMBL19209491 0.89 S1PR1 (0.46) XDHNPC1RAB9AHSD17B10TP53
SCHEMBL15399809 0.88 MTNR1A (0.39) HSD17B10KDM4EALDH1A1MAPTTP53
SCHEMBL19209500 0.85 XDH (0.46) XDHNPC1RAB9AHSD17B10KDM4E
SCHEMBL19209436 0.83 XDH (0.46) XDHNPC1RAB9AHSD17B10KDM4E
SCHEMBL19209422 0.81 XDH (0.48) XDHNPC1RAB9AHSD17B10KDM4E
SCHEMBL19209443 0.80 S1PR1 (0.51) XDHHSD17B10S1PR1
SCHEMBL16863737 0.79 MTNR1A (0.41) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL1890644 0.79 MTNR1A (0.42) HSD17B10KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL38659061 0.79 MTNR1A (0.42) HSD17B10KDM4EALDH1A1MTNR1AMTNR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017134146-A1 GPBP INHIBITORS AND USES AND SCALEABLE SYNTHESIS THEREOF FIBROSTATIN, S.L. (ES) 2017-08-10 WO disclosed
WO-2017134146-A1 GPBP INHIBITORS AND USES AND SCALEABLE SYNTHESIS THEREOF FIBROSTATIN, S.L. (ES) 2017-08-10 WO disclosed