SCHEMBL8769634

SCHEMBL8769634

CC(C)CCCCCCCc1cccc(OP(O)Oc2ccccc2)c1CCCCCCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.40
LTB4R2 Q9NPC1 4/20 0.40
BCHE P06276 1/20 0.35
ADRB2 P07550 4/20 0.34
ADRB1 P08588 4/20 0.34
PPARA Q07869 2/20 0.33
CYP2C9 P11712 1/20 0.33
PPARG P37231 1/20 0.32
TRAP1 Q12931 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
SCHEMBL78431 0.85 LTB4R (0.37) LTB4RLTB4R2BCHEADRB2ADRB1
SCHEMBL5364072 0.85 LTB4R (0.37) LTB4RLTB4R2BCHEADRB2ADRB1
SCHEMBL449156 0.84 LTB4R (0.44) LTB4RLTB4R2PPARAPPARG
SCHEMBL9383733 0.83 ADRB2 (0.44) LTB4RLTB4R2BCHEADRB2ADRB1
SCHEMBL11113123 0.82 ADRB2 (0.43) LTB4RLTB4R2BCHEADRB2ADRB1
SCHEMBL4712031 0.81 LTB4R (0.43) LTB4RLTB4R2PPARAPPARG
SCHEMBL11138913 0.81 LTB4R (0.43) LTB4RLTB4R2PPARAPPARG
SCHEMBL448383 0.78 LTB4R (0.45) LTB4RLTB4R2PPARAPPARG
SCHEMBL14686026 0.78 PTGS2 (0.51) LTB4RLTB4R2PPARAPPARG
SCHEMBL9325512 0.77 THRA (0.51) LTB4RLTB4R2PPARAPPARG

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-0633287-B1 Clarifying nucleating and/or large-improving compositions CLARIANT FINANCE BVI LTD (VG) 1997-09-10 EP disclosed
EP-0633287-A1 Clarifying nucleating and/or large-improving compositions SANDOZ LTD. (CH) 1995-01-11 EP disclosed