SCHEMBL2468613

SCHEMBL2468613

CCCCCCCCC(CC(=O)O)(OC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
FFAR1 O14842 2/20 0.42
CPT2 P23786 1/20 0.42
HSPD1 P10809 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL12141737 0.88 TDP1 (0.41) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL28265919 0.85 CES2 (0.40) TDP1FFAR1GPR84PPARGPPARD
SCHEMBL27774187 0.84 TDP1 (0.41) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL14672446 0.83 TDP1 (0.40) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL8416051 0.83 TDP1 (0.40) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL28146042 0.83 TDP1 (0.40) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL429974 0.83 TDP1 (0.40) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL6286438 0.83 TDP1 (0.40) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL14672442 0.83 TDP1 (0.40) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL2404824 0.78 EPHX1 (0.39) TDP1FFAR1CPT2HSPD1BLM

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-1402875-B1 POWDERY COMPOSITION SHISEIDO CO LTD (JP) 2011-10-05 EP disclosed
EP-1402875-A1 POWDERY COMPOSITION SHISEIDO COMPANY, LTD. (JP) 2004-03-31 EP disclosed