SCHEMBL4313085

SCHEMBL4313085

CCCCCc1c(CO)cc(C(=O)O)c(CCCCC)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.43
▸ PPARG P37231 4/20 0.43
▸ KAT8 Q9H7Z6 4/20 0.42
▸ BID P55957 3/20 0.42
▸ MCL1 Q07820 3/20 0.42
▸ BCL2L1 Q07817 2/20 0.42
▸ BAK1 Q16611 2/20 0.42
▸ EP300 Q09472 1/20 0.42
▸ KAT2A Q92830 1/20 0.42
▸ KAT2B Q92831 1/20 0.42
▸ KAT5 Q92993 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ RARB P10826 3/20 0.42
▸ RARA P10276 1/20 0.39
▸ RARG P13631 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ TOP2A P11388 1/20 0.39
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38

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
SCHEMBL4317058 0.98 PPARA (0.45) PPARAPPARGKAT8BIDMCL1
SCHEMBL28818176 0.91 PPARA (0.48) PPARAPPARGKAT8BIDMCL1
SCHEMBL21670763 0.89 F7 (0.53) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL9558191 0.86 PPARA (0.43) PPARAPPARGKAT8BIDMCL1
SCHEMBL1439030 0.86 GABRP (0.48) PPARAPPARGKAT8BIDMCL1
SCHEMBL14989184 0.85 KAT8 (0.51) PPARAPPARGKAT8BIDMCL1
SCHEMBL14989183 0.85 KAT8 (0.51) PPARAPPARGKAT8BIDMCL1
SCHEMBL14989185 0.85 KAT8 (0.51) PPARAPPARGKAT8BIDMCL1
SCHEMBL14989165 0.85 KAT8 (0.51) PPARAPPARGKAT8BIDMCL1
SCHEMBL14989188 0.85 KAT8 (0.51) PPARAPPARGKAT8BIDMCL1

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-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 — — WO disclosed
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