SCHEMBL5504633

SCHEMBL5504633

CCCCCCCC/C=C\CCCCCCCCCC(CCCC(=O)O)(C(=O)[O-])[N+](C)(C)CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.55
PPARA Q07869 6/20 0.55
PPARD Q03181 5/20 0.55
F7 P08709 5/20 0.55
F3 P13726 5/20 0.55
TERT O14746 3/20 0.55
PTPN1 P18031 3/20 0.55
TOP1 P11387 3/20 0.55
HSD17B10 Q99714 3/20 0.55
FABP4 P15090 3/20 0.55
MAPT P10636 2/20 0.55
BLM P54132 2/20 0.55
LMNA P02545 2/20 0.55
ALOX15 P16050 2/20 0.55
DUSP3 P51452 2/20 0.55
CYP19A1 P11511 2/20 0.55
PTGS1 P23219 2/20 0.55
NR4A2 P43354 2/20 0.55
SIRT6 Q8N6T7 2/20 0.55
PTPN7 P35236 2/20 0.55

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
SCHEMBL5997223 0.80 TERT (0.47) PPARGPPARAPPARDF7F3
SCHEMBL5198018 0.79 PPARG (0.54) PPARGPPARAPPARDF7F3
SCHEMBL2455190 0.77 FABP3 (0.56) PPARGPPARAPPARDF7F3
SCHEMBL6925772 0.77 FABP3 (0.49) TERTHSD17B10FABP4MAPTBLM
Oleic Acid SCHEMBL107189 0.75 PPARG (0.89) PPARGPPARAPPARDF7F3
Erucic Acid SCHEMBL27346662 0.75 PPARG (0.96) PPARGPPARAPPARDF7F3
Oleic Acid SCHEMBL673671 0.75 PPARG (0.96) PPARGPPARAPPARDF7F3
Palmitoleic Acid SCHEMBL22501173 0.75 PPARG (0.96) PPARGPPARAPPARDF7F3
Oleic Acid SCHEMBL673672 0.75 PPARG (0.96) PPARGPPARAPPARDF7F3
Oleic Acid SCHEMBL7545316 0.74 PPARG (0.92) PPARGPPARAPPARDF7F3

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-1678289-B1 BAR SOAP COMPOSITION WITH REDUCED BAR WEAR PROPERTIES COLGATE PALMOLIVE CO (US) 2007-04-11 EP claimed
EP-0519942-B1 COSMETIC CLEANSING AGENT BEIERSDORF AG (DE) 1994-10-05 EP claimed