SCHEMBL4448580

SCHEMBL4448580

CCCc1cccc(O[PH](=O)O)c1CCC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.43
LTB4R2 Q9NPC1 3/20 0.43
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
ELANE P08246 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
PPARA Q07869 2/20 0.35
PPARD Q03181 1/20 0.35
DAO P14920 1/20 0.34
PPARG P37231 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
SCHEMBL617425 0.88 ALOX5 (0.48) LTB4RLTB4R2ALOX5PTGS2ELANE
SCHEMBL4448577 0.87 LTB4R (0.42) LTB4RLTB4R2ALOX5PTGS2ELANE
SCHEMBL2817838 0.86 PPARD (0.43) LTB4RLTB4R2PPARD
SCHEMBL8954291 0.85 ALOX5 (0.52) LTB4RLTB4R2ALOX5PTGS2ELANE
SCHEMBL335973 0.85 ALOX5 (0.52) LTB4RLTB4R2ALOX5PTGS2ELANE
SCHEMBL11139183 0.82 ALOX5 (0.31) LTB4RLTB4R2ALOX5PTGS2GABRA1
SCHEMBL1230052 0.81 GABRA1 (0.45) ALOX5PTGS2GABRA1GABRB2PPARA
SCHEMBL28541193 0.79 LTB4R (0.44) LTB4RLTB4R2ALOX5PTGS2ELANE
SCHEMBL2822983 0.77 L3MBTL1 (0.48) GABRA1GABRB2
SCHEMBL1835083 0.77 LTB4R (0.48) LTB4RLTB4R2ALOX5PTGS2ELANE

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