SCHEMBL8906262

SCHEMBL8906262

CCCCCCC(C)(C)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
KAT8 Q9H7Z6 3/20 0.43
PPARA Q07869 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
PPARG P37231 2/20 0.43
EP300 Q09472 2/20 0.43
KAT5 Q92993 2/20 0.43
SAE1 Q9UBE0 2/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 1/20 0.40
PLK1 P53350 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
MMP2 P08253 2/20 0.39
F7 P08709 2/20 0.39
F3 P13726 2/20 0.39

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
SCHEMBL6152073 0.87 BID (0.44) BIDMCL1KAT8PPARABCL2L1
SCHEMBL165623 0.87 BID (0.44) BIDMCL1KAT8PPARABCL2L1
SCHEMBL7764644 0.87 BID (0.44) BIDMCL1KAT8PPARABCL2L1
SCHEMBL26622690 0.87 BID (0.44) BIDMCL1KAT8PPARABCL2L1
SCHEMBL3010386 0.86 ALDH1A1 (0.42) BIDMCL1KAT8PPARABCL2L1
SCHEMBL6229449 0.86 BID (0.43) BIDMCL1KAT8PPARABCL2L1
SCHEMBL7457422 0.86 BID (0.43) BIDMCL1KAT8PPARABCL2L1
SCHEMBL9795331 0.84 ALDH1A1 (0.41) BIDMCL1KAT8PPARABCL2L1
SCHEMBL183937 0.84 BID (0.43) BIDMCL1KAT8PPARABCL2L1
SCHEMBL11224449 0.84 BID (0.41) BIDMCL1KAT8PPARABCL2L1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804402-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1997-11-05 EP claimed
WO-1996022268-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1996-07-25 WO claimed