SCHEMBL9469666

SCHEMBL9469666

CCCCCCCCC(O)C=CC=Cc1ccccc1OCCCC(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.49
PPARA Q07869 2/20 0.44
FAAH O00519 2/20 0.44
NPC1 O15118 1/20 0.43
S1PR4 O95977 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ITGA4 P13612 1/20 0.43
HPGD P15428 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9469161 1.00 PPARG (0.49) PPARGPPARAFAAHNPC1S1PR4
SCHEMBL9469160 1.00 PPARG (0.49) PPARGPPARAFAAHNPC1S1PR4
SCHEMBL9469661 1.00 PPARG (0.49) PPARGPPARAFAAHNPC1S1PR4
SCHEMBL9469966 1.00 PPARG (0.49) PPARGPPARAFAAHNPC1S1PR4
SCHEMBL9470015 1.00 PPARG (0.49) PPARGPPARAFAAHNPC1S1PR4
SCHEMBL9470020 1.00 PPARG (0.49) PPARGPPARAFAAHNPC1S1PR4
SCHEMBL9469664 1.00 PPARG (0.49) PPARGPPARAFAAHNPC1S1PR4
SCHEMBL9469963 1.00 PPARG (0.49) PPARGPPARAFAAHNPC1S1PR4
SCHEMBL9469691 0.97 PPARG (0.53) PPARGPPARAFAAHNPC1S1PR4
SCHEMBL9469692 0.97 PPARG (0.53) PPARGPPARAFAAHNPC1S1PR4

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-0416069-B1 NEW LEUCOTRIENE B 4 DERIVATIVES, A METHOD OF PREPARING THEM, AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-07-28 EP claimed
US-5183925-A LEUKOTRIENE-B4 DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed