SCHEMBL9626537

SCHEMBL9626537

CCCCCCCCC(O)/C=C/C=C/c1cccc(C(O)CCCC(=O)OC)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
LTB4R Q15722 2/20 0.46
FPR2 P25090 6/20 0.45
PPARG P37231 4/20 0.45
PPARA Q07869 2/20 0.45
FAAH O00519 1/20 0.39
PTGER2 P43116 1/20 0.38

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
SCHEMBL8772243 0.93 LTB4R (0.52) NFKB1NFKB2RELALTB4RFPR2
SCHEMBL8772138 0.93 LTB4R (0.52) NFKB1NFKB2RELALTB4RFPR2
SCHEMBL8772239 0.93 LTB4R (0.52) NFKB1NFKB2RELALTB4RFPR2
SCHEMBL8849692 0.83 LTB4R (0.49) NFKB1NFKB2RELALTB4RFPR2
SCHEMBL8849684 0.83 LTB4R (0.49) NFKB1NFKB2RELALTB4RFPR2
SCHEMBL8890568 0.81 LTB4R (0.57) NFKB1NFKB2RELALTB4RFPR2
SCHEMBL8772147 0.81 LTB4R (0.57) NFKB1NFKB2RELALTB4RFPR2
SCHEMBL8890563 0.81 LTB4R (0.57) NFKB1NFKB2RELALTB4RFPR2
SCHEMBL9512660 0.78 PPARG (0.57) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL8772227 0.77 LTB4R (0.55) NFKB1LTB4R

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-0477311-A1 NEW LEUCOTRIENE B 4? DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-01 EP disclosed
WO-1991014676-A1 NEW LEUCOTRIENE B4 DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-10-03 WO disclosed