SCHEMBL4448577

SCHEMBL4448577

CCCc1cccc(O[PH](=O)Oc2cccc(CCC)c2CCC)c1CCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.42
LTB4R2 Q9NPC1 3/20 0.42
ELANE P08246 3/20 0.40
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
DAO P14920 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CTSG P08311 1/20 0.34
PPARA Q07869 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
SCHEMBL617424 0.87 ALOX5 (0.46) LTB4RLTB4R2ELANEALOX5PTGS2
SCHEMBL4448580 0.87 LTB4R (0.43) LTB4RLTB4R2ELANEALOX5PTGS2
SCHEMBL11748995 0.84 PTGS2 (0.51) LTB4RLTB4R2ELANEALOX5PTGS2
SCHEMBL335972 0.84 PTGS2 (0.51) LTB4RLTB4R2ELANEALOX5PTGS2
SCHEMBL31491508 0.84 HTR1A (0.44) LTB4RLTB4R2HTR1AADRA2AADRA2B
SCHEMBL2817836 0.84 HTR1A (0.44) LTB4RLTB4R2HTR1AADRA2AADRA2B
SCHEMBL28541193 0.81 LTB4R (0.44) LTB4RLTB4R2ELANEALOX5PTGS2
SCHEMBL1230050 0.80 GABRA1 (0.43) ELANEALOX5PTGS2DAOHTR1A
SCHEMBL11139166 0.79 ALOX5 (0.32) LTB4RLTB4R2ALOX5PTGS2GABRA1
SCHEMBL10880963 0.77 LTB4R (0.42) LTB4RLTB4R2ELANEALOX5PTGS2

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 3 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
US-6110341-A AN AQUEOUS MEDIUM COMPRISING AN ACTIVE HYDROGEN GROUP-CONTAINING CATIONIC ELECTRODEPOSITABLE RESIN AND A CURING AGENT WITH LEAD-FREE; CORROSION-RESIST PROTECTIVE COATINGS FOR TREATING STEEL PPG INDUSTRIES OHIO, INC. (US) 2000-08-29 US disclosed