SCHEMBL28678786

SCHEMBL28678786

CCCCc1ccccc1-c1ccc(O)c(O)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.47
CTSG P08311 4/20 0.47
TYR P14679 2/20 0.42
IAPP P10997 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
CYP3A4 P08684 1/20 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
SCHEMBL28700315 0.90 ELANE (0.44) ELANECTSGIAPPALOX5MCL1
SCHEMBL5586754 0.88 ELANE (0.51) ELANECTSGTYRIAPPLIPG
SCHEMBL5588519 0.83 BID (0.53) ELANECTSGTYRIAPPLIPG
SCHEMBL28689601 0.82 GABRA1 (0.48) IAPPMCL1CYP3A4
SCHEMBL30212610 0.82 ELANE (0.48) ELANECTSGTYRIAPPLIPG
SCHEMBL548498 0.82 ELANE (0.48) ELANECTSGTYRIAPPLIPG
SCHEMBL2701240 0.82 LIPG (0.50) ELANECTSGTYRLIPGALOX5
SCHEMBL324186 0.81 ELANE (0.47) ELANECTSGTYRIAPPLIPG
SCHEMBL5615323 0.79 ALOX5 (0.43) ELANECTSGTYRIAPPLIPG
SCHEMBL2467818 0.78 ALOX5 (0.56) ELANECTSGTYRIAPPLIPG

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-109983103-B Metal working oil composition and metal working method 出光兴产株式会社 2022-01-18 CN disclosed