SCHEMBL12177523

SCHEMBL12177523

COc1cccc(-c2ccc(/C=C3\SC(=O)N(C)C3=O)o2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 2/20 0.65
▸ POLB P06746 4/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAP3K5 Q99683 2/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.48
▸ ITGB2 P05107 2/20 0.47
▸ ITGAM P11215 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PTPN22 Q9Y2R2 3/20 0.46
▸ CISD1 Q9NZ45 1/20 0.45
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 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
SCHEMBL12177526 0.86 MAP3K5 (0.60) PIK3CGPOLBRAB9AALDH1A1MAPT
SCHEMBL12177545 0.84 PSMB8 (0.66) PIK3CGPOLBRAB9AALDH1A1MAPT
SCHEMBL12177452 0.83 PIK3CG (0.58) PIK3CGPOLBRAB9AALDH1A1MAPT
SCHEMBL12177733 0.83 RAB9A (0.77) PIK3CGPOLBRAB9AALDH1A1MAPT
SCHEMBL12177524 0.83 PIK3CG (0.57) PIK3CGPOLBRAB9AALDH1A1MAPT
SCHEMBL12177493 0.83 MEN1 (0.59) PIK3CGPOLBRAB9AALDH1A1MAPT
SCHEMBL12177546 0.82 PSMB8 (0.57) PIK3CGPOLBRAB9AALDH1A1MAPT
SCHEMBL12177547 0.82 PSMB8 (0.56) PIK3CGPOLBRAB9AALDH1A1MAPT
SCHEMBL12177382 0.81 POLB (0.66) PIK3CGPOLBRAB9AALDH1A1MAPT
SCHEMBL3135568 0.80 MAP3K5 (0.64) PIK3CGPOLBRAB9AALDH1A1MAPT

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-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
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