SCHEMBL19257541

SCHEMBL19257541

CCc1cc(-c2ccc(-c3ccc(OC)cc3/C=C/C(=O)O)cc2CC)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JUN P05412 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ RELA Q04206 3/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL19257538 0.91 JUN (0.45) JUNNFKB1RELAABCG2MAPT
SCHEMBL19257539 0.88 JUN (0.49) JUNNFKB1RELAABCG2MAPT
SCHEMBL19257540 0.86 HDAC8 (0.43) JUNNFKB1RELAGAAATM
SCHEMBL19257199 0.85 JUN (0.45) JUNNFKB1RELAABCG2MAPT
SCHEMBL19257277 0.84 AKR1C3 (0.44) GAA
SCHEMBL19257198 0.84 JUN (0.44) JUNNFKB1RELAABCG2MAPT
SCHEMBL19257715 0.82 PLAU (0.45) ALDH1A1KDM4E
SCHEMBL19257276 0.82 P4HB (0.43) RELAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL19257205 0.81 JUN (0.51) JUNNFKB1RELAABCG2MAPT
SCHEMBL19257583 0.81 HDAC8 (0.43) GAA

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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