SCHEMBL19257205

SCHEMBL19257205

COc1ccc(-c2ccc(-c3ccc(OC)c(C)c3)c(C)c2)c(/C=C/C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JUN P05412 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ RELA Q04206 3/20 0.47
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ATM Q13315 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL19257197 0.91 JUN (0.47) JUNNFKB1ABCG2RELAPDE4A
SCHEMBL19257199 0.89 JUN (0.45) JUNNFKB1ABCG2RELAPDE4A
SCHEMBL19257203 0.88 XDH (0.46) JUNNFKB1ABCG2RELAPDE4A
SCHEMBL19257218 0.86 CYP1A2 (0.49) JUNNFKB1ABCG2RELAPDE4A
SCHEMBL19257268 0.86 HDAC8 (0.45) JUNNFKB1GAASMN1; SMN2ATM
SCHEMBL19209488 0.85 GABRA3 (0.49) JUNNFKB1MAPTGAAKDM4E
SCHEMBL19257548 0.82 FFAR1 (0.46) GAA
SCHEMBL19209497 0.82 P4HB (0.44) JUNNFKB1ALDH1A1MEN1KMT2A
SCHEMBL19257289 0.82 PLAU (0.46) ALDH1A1KDM4E
SCHEMBL19257541 0.81 JUN (0.52) JUNNFKB1ABCG2RELAPDE4A

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