SCHEMBL31243576

SCHEMBL31243576

CCCCc1cccc(O)c1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.47
MCL1 Q07820 6/20 0.47
BCL2L1 Q07817 5/20 0.47
BAK1 Q16611 5/20 0.47
KAT8 Q9H7Z6 2/20 0.47
SAE1 Q9UBE0 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
EP300 Q09472 1/20 0.47
KAT2A Q92830 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT5 Q92993 1/20 0.47
TYR P14679 1/20 0.44
IAPP P10997 1/20 0.44
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
ELANE P08246 1/20 0.42
CTSG P08311 1/20 0.42
F7 P08709 3/20 0.41
F3 P13726 3/20 0.41

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
SCHEMBL688631 0.93 BID (0.56) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8196597 0.89 GABRA1 (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9318017 0.84 TSHR (0.44) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9074096 0.84 TYR (0.50) TYRALOX5ELANECTSGKDM4E
SCHEMBL28247271 0.83 BID (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11582639 0.83 BID (0.56) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28790591 0.82 BID (0.42) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL980121 0.82 BID (0.46) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL7145211 0.81 GABRA1 (0.39) BIDMCL1BCL2L1BAK1IAPP
SCHEMBL6407131 0.81 GABRA1 (0.58) BIDMCL1BCL2L1BAK1KAT8

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
CN-119059884-A Method for separating o-ethylphenol from m-cresol and p-cresol containing o-ethylphenol 盐城工学院 2024-12-03 CN disclosed