SCHEMBL27262159

SCHEMBL27262159

CCCCCCCCCCCCc1ccccc1CC#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.53
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
GPR3 P46089 1/20 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
SCHEMBL24217799 0.98 LIPG (0.50) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL11126243 0.92 LIPG (0.43) LIPGNR1H2NR1H3TSHRALOX5
Water SCHEMBL28085363 0.86 LIPG (0.67) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL7781555 0.84 ALDH1A1 (0.44) LIPGPPARGPPARA
SCHEMBL10980560 0.84 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL1343771 0.84 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL7516668 0.84 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL18496530 0.84 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL7534048 0.84 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL10755599 0.84 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1025564-C Process for the preparation of phenyl epoxy hydroxy acid esters SMITHKLINE BECKMAN CORP (US) 1994-08-03 CN disclosed
CN-1008091-B Process for preparing leukotriene antagonists SMITHKLINE BECKMAN CORP (US) 1990-05-23 CN disclosed
CN-1040586-A Process for preparing leukotriene antagonists SMITHKLINE BECKMAN CORP (US) 1990-03-21 CN disclosed
CN-86102482-A Process for preparing leukotriene antagonists 1987-02-04 CN disclosed