SCHEMBL5178373

SCHEMBL5178373

CCCCCCCCCCCC(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
GPR84 Q9NQS5 7/20 0.36
PPARG P37231 7/20 0.36
PPARD Q03181 7/20 0.36
PPARA Q07869 7/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 0.36
PTPN1 P18031 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
ALOX15 P16050 1/20 0.36
PDE4A P27815 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL2682265 0.98 CES2 (0.39) CES2GPR84PPARGPPARDPPARA
SCHEMBL5665231 0.98 CES2 (0.39) CES2GPR84PPARGPPARDPPARA
SCHEMBL4057603 0.98 CES2 (0.39) CES2GPR84PPARGPPARDPPARA
SCHEMBL5179328 0.98 CES2 (0.39) CES2GPR84PPARGPPARDPPARA
SCHEMBL5983660 0.98 CES2 (0.39) CES2GPR84PPARGPPARDPPARA
SCHEMBL9274885 0.97 CES2 (0.36) CES2GPR84PPARGPPARDPPARA
Acetic Acid SCHEMBL4292824 0.94 MEN1 (0.35) CES2GPR84PPARGPPARDPPARA
Acetic Acid SCHEMBL9376014 0.94 MEN1 (0.35) CES2GPR84PPARGPPARDPPARA
SCHEMBL5795602 0.94 CES2 (0.34) CES2GPR84PPARGPPARDPPARA
SCHEMBL15572971 0.93 CES2 (0.40) CES2GPR84PPARGPPARDPPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146854-B1 COMPOSITIONS AND METHODS FOR TREATING HAIR AND SKIN USING AQUEOUS DELIVERY SYSTEMS OREAL (FR) 2007-03-21 EP claimed