SCHEMBL28036398

SCHEMBL28036398

CCCCCCCc1cccc(O)c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.61
MCL1 Q07820 6/20 0.61
BCL2L1 Q07817 5/20 0.61
BAK1 Q16611 5/20 0.61
KAT8 Q9H7Z6 3/20 0.61
SAE1 Q9UBE0 2/20 0.61
EP300 Q09472 2/20 0.61
KAT5 Q92993 2/20 0.61
PPARG P37231 1/20 0.61
PPARA Q07869 1/20 0.61
KAT2A Q92830 1/20 0.61
KAT2B Q92831 1/20 0.61
LIPG Q9Y5X9 1/20 0.53
F7 P08709 3/20 0.52
F3 P13726 3/20 0.52
MAPT P10636 3/20 0.52
MMP2 P08253 2/20 0.52
ALOX15 P16050 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52

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
SCHEMBL28036397 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
Dodecane SCHEMBL28151657 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11299558 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL30031013 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9769420 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL27562164 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28268308 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL752077 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL167800 0.98 BID (0.58) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL6883028 0.92 BID (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107266338-B The manufacturing method of isocyanates 旭化成株式会社 2019-10-11 CN disclosed
CN-105102422-B Method for producing isocyanate 旭化成株式会社 2018-01-09 CN disclosed
CN-107266338-A The manufacture method of isocyanates 旭化成株式会社 2017-10-20 CN disclosed
CN-105102422-A Method for producing isocyanate ASAHI KASEI CHEMICALS CORP 2015-11-25 CN disclosed