SCHEMBL18092116

SCHEMBL18092116

CCCCCCCCCCc1ccccc1Oc1cccc(O)c1Oc1ccccc1CCCCCCCCCC.Oc1cccc(Oc2ccccc2-c2ccccc2)c1Oc1ccccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
PPARA Q07869 3/20 0.45
BCL2L1 Q07817 2/20 0.45
BAK1 Q16611 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARG P37231 2/20 0.45
SAE1 Q9UBE0 2/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
MMP2 P08253 2/20 0.40
F7 P08709 2/20 0.40

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
SCHEMBL1837058 0.90 ALOX5 (0.52) BIDMCL1PPARABCL2L1BAK1
SCHEMBL1836618 0.90 ALOX5 (0.52) BIDMCL1PPARABCL2L1BAK1
SCHEMBL1834409 0.90 ALOX5 (0.52) BIDMCL1PPARABCL2L1BAK1
SCHEMBL1841069 0.90 ALOX5 (0.52) BIDMCL1PPARABCL2L1BAK1
SCHEMBL1840304 0.90 ALOX5 (0.52) BIDMCL1PPARABCL2L1BAK1
SCHEMBL1840649 0.89 ALOX5 (0.54) BIDMCL1PPARABCL2L1BAK1
SCHEMBL1838461 0.85 ALOX5 (0.48) BIDMCL1PPARABCL2L1BAK1
SCHEMBL2857405 0.85 ALOX5 (0.55) BIDMCL1PPARABCL2L1BAK1
SCHEMBL27963727 0.84 ALOX5 (0.54) BIDMCL1PPARABCL2L1BAK1
SCHEMBL27963725 0.84 ALOX5 (0.54) 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-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
EP-2322504-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-09-28 EP disclosed