SCHEMBL19257548

SCHEMBL19257548

COc1ccc(-c2ccc(-c3cccc(CO)c3)c(C)c2)c(/C=C/C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.46
▸ AKR1C3 P42330 3/20 0.45
▸ AKR1C2 P52895 2/20 0.45
▸ HDAC8 Q9BY41 4/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ PTGER1 P34995 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ LTB4R Q15722 1/20 0.43
▸ LTB4R2 Q9NPC1 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ MTNR1A P48039 3/20 0.41
▸ MTNR1B P49286 3/20 0.41
▸ EGFR P00533 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL19257220 0.89 HSD17B1 (0.46) FFAR1HDAC8HDAC3HDAC1NCOR2
SCHEMBL19257277 0.89 AKR1C3 (0.44) AKR1C3AKR1C2HDAC8HDAC3HDAC1
SCHEMBL19257268 0.87 HDAC8 (0.45) FFAR1HDAC8HDAC3HDAC1NCOR2
SCHEMBL19257583 0.84 HDAC8 (0.43) AKR1C3AKR1C2HDAC8HDAC3HDAC1
SCHEMBL19209497 0.82 P4HB (0.44) FFAR1HDAC8HDAC3HDAC1NCOR2
SCHEMBL19257289 0.82 PLAU (0.46) AKR1C3AKR1C2HDAC8HDAC3HDAC1
SCHEMBL19257205 0.82 JUN (0.51) GAA
SCHEMBL3292447 0.82 HDAC8 (0.60) HDAC8HDAC3HDAC1NCOR2PTGER4
SCHEMBL3292450 0.82 HDAC8 (0.60) HDAC8HDAC3HDAC1NCOR2PTGER4
SCHEMBL19257274 0.81 HDAC8 (0.44) FFAR1AKR1C3HDAC8HDAC3HDAC1

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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