SCHEMBL8965769

SCHEMBL8965769

CC(C)CCCCCCc1ccc(C(=O)O)c(C(=O)O)c1CCCCCCC(C)C.CCCCc1c(Cc2ccccc2)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.40
LDHB P07195 2/20 0.40
BID P55957 4/20 0.39
MCL1 Q07820 4/20 0.39
PPARA Q07869 4/20 0.39
BCL2L1 Q07817 3/20 0.39
BAK1 Q16611 3/20 0.39
KAT8 Q9H7Z6 3/20 0.39
PPARG P37231 2/20 0.39
EP300 Q09472 2/20 0.39
KAT5 Q92993 2/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RARB P10826 1/20 0.37
LTB4R Q15722 2/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL4582304 0.93 LDHA (0.40) LDHALDHBBIDMCL1BCL2L1
SCHEMBL4582211 0.93 LDHA (0.40) LDHALDHBBIDMCL1BCL2L1
SCHEMBL5516325 0.91 BID (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL5519100 0.91 BID (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL5523698 0.91 BID (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL5519682 0.91 BID (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL8965931 0.91 BID (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL5180435 0.91 BID (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL5519803 0.91 BID (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL5523259 0.91 BID (0.43) BIDMCL1PPARABCL2L1BAK1

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-0698221-A1 FILLING COMPOUND FOR AN OPTICAL TRANSMISSION ELEMENT WITH AT LEAST ONE OPTICAL WAVEGUIDE SIEMENS AKTIENGESELLSCHAFT (DE) 1996-02-28 EP disclosed
WO-1994027174-A1 FILLING COMPOUND FOR AN OPTICAL TRANSMISSION ELEMENT WITH AT LEAST ONE OPTICAL WAVEGUIDE SIEMENS AKTIENGESELLSCHAFT (DE) 1994-11-24 WO disclosed