SCHEMBL7140636

SCHEMBL7140636

CCCCC1=C(P)[CH]c2cccc(CCCC)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
TLR8 Q9NR97 2/20 0.33
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 0.32
KAT8 Q9H7Z6 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
EP300 Q09472 1/20 0.32
KAT2A Q92830 1/20 0.32
KAT2B Q92831 1/20 0.32
KAT5 Q92993 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL2867249 0.82 TYR (0.35) TYRLIPGALOX5PTGS2TLR8
SCHEMBL2963338 0.77 LIPG (0.40) TYRLIPGALOX5PTGS2TLR8
SCHEMBL2966730 0.76 LIPG (0.42) TYRLIPGALOX5PTGS2TLR8
SCHEMBL8022504 0.73 NR1H2 (0.42) LIPGALOX5PTGS2TLR8BID
SCHEMBL2867536 0.70 ALOX5 (0.33) TYRLIPGALOX5PTGS2BID
SCHEMBL245188 0.70 LIPG (0.56) TYRLIPGALOX5PTGS2TLR8
SCHEMBL29520482 0.70 LIPG (0.56) TYRLIPGALOX5PTGS2TLR8
SCHEMBL6571152 0.69 NR1H2 (0.48) LIPGALOX5PTGS2BIDMCL1
SCHEMBL2862456 0.68 DAO (0.30)
SCHEMBL6571190 0.68 NR1H2 (0.50) LIPGALOX5PTGS2BIDMCL1

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-1311561-A1 PROCESS FOR PREPARING PARTIALLY HYDROGENATED BUTADIENE POLYMERS KRATON Polymers Research B.V. (NL) 2003-05-21 EP disclosed
WO-2002034799-A1 PROCESS FOR PREPARING PARTIALLY HYDROGENATED BUTADIENE POLYMERS KRATON POLYMERS RESEARCH B.V. (NL) 2002-05-02 WO disclosed