SCHEMBL4454722

SCHEMBL4454722

CCCCc1cccc(OP(=O)(O)CCCC=O)c1CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CETP P11597 4/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PPARG P37231 1/20 0.37
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
BID P55957 4/20 0.34
BCL2L1 Q07817 4/20 0.34
MCL1 Q07820 4/20 0.34
BAK1 Q16611 4/20 0.34
F7 P08709 3/20 0.34
F3 P13726 3/20 0.34
MMP2 P08253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ECE1 P42892 1/20 0.34

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
SCHEMBL4450349 0.94 ALOX5 (0.37) PPARALTB4RLTB4R2CETPTHRA
SCHEMBL4454583 0.92 LTB4R (0.41) PPARALTB4RLTB4R2CETPTHRA
SCHEMBL4459849 0.90 PPARA (0.43) PPARALTB4RLTB4R2CETPTHRA
SCHEMBL4448711 0.87 ALOX5 (0.41) PPARALTB4RLTB4R2CETPTHRA
SCHEMBL4451542 0.86 ALOX5 (0.39) PPARALTB4RLTB4R2CETPTHRA
SCHEMBL4455501 0.85 CETP (0.35) PPARACETPTHRATHRBMAPT
SCHEMBL4449947 0.84 LTB4R (0.37) PPARALTB4RLTB4R2CETPALOX5
SCHEMBL4459873 0.83 ALOX5 (0.42) PPARALTB4RLTB4R2CETPTHRA
SCHEMBL4453741 0.82 LTB4R (0.44) PPARALTB4RLTB4R2CETPTHRA
SCHEMBL4455499 0.81 ALOX5 (0.40) PPARALTB4RLTB4R2THRATHRB

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
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed