SCHEMBL28015102

SCHEMBL28015102

CCCCCC(CCCCC)(C(=O)O)C(CCCCC)(CCCCC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.46
CES2 O00748 1/20 0.45
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
PTPN1 P18031 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44
PDE4A P27815 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL13517894 0.97 AKR1B1 (0.44) AKR1B1CES2GPR84PPARGPPARD
SCHEMBL26101912 0.97 CES2 (0.48) CES2GPR84PPARGPPARDPPARA
SCHEMBL337305 0.97 CES2 (0.48) CES2GPR84PPARGPPARDPPARA
SCHEMBL13517726 0.95 CES2 (0.47) CES2GPR84PPARGPPARDPPARA
SCHEMBL2369393 0.92 AKR1B1 (0.42) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL13269370 0.90 AKR1B1 (0.42) AKR1B1CES2GPR84PPARGPPARD
Ammonia Solution, Strong SCHEMBL28849729 0.90 AKR1B1 (0.40) AKR1B1GPR84PPARGPPARDPPARA
Ammonia Solution, Strong SCHEMBL28849728 0.90 AKR1B1 (0.40) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL13269538 0.88 CES2 (0.45) CES2GPR84PPARGPPARDPPARA
SCHEMBL13517487 0.87 AKR1B1 (0.39) AKR1B1GPR84PPARGPPARDPPARA

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
CN-104736627-A Propylene resin composition for retort pouch-packaging film SUN ALLOMER LTD 2015-06-24 CN disclosed