SCHEMBL7869102

SCHEMBL7869102

CCCCCCCCCCC(=O)C(=O)OC(=O)C(=O)CCCCCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.68
CES1 P23141 5/20 0.68
FAAH O00519 2/20 0.56
GPR84 Q9NQS5 7/20 0.52
PPARG P37231 6/20 0.52
PPARD Q03181 6/20 0.52
PPARA Q07869 6/20 0.52
HDAC11 Q96DB2 5/20 0.52
TSHR P16473 4/20 0.52
ALDH1A1 P00352 2/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FABP4 P15090 2/20 0.52
PTPN1 P18031 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
MEN1 O00255 1/20 0.52
ESR1 P03372 1/20 0.52
ALOX15 P16050 1/20 0.52
PDE4A P27815 1/20 0.52

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
SCHEMBL28523083 1.00 CES2 (0.68) CES2CES1FAAHGPR84PPARG
SCHEMBL21114377 0.90 CES1 (0.65) CES2CES1FAAHGPR84TSHR
SCHEMBL4541491 0.89 CES2 (0.60) CES2CES1FAAHGPR84PPARG
SCHEMBL28006875 0.89 CES1 (0.60) CES2CES1FAAHGPR84PPARG
SCHEMBL1734893 0.88 CES2 (0.54) CES2CES1FAAHGPR84PPARG
SCHEMBL28787958 0.87 CES1 (0.58) CES2CES1FAAHGPR84PPARG
SCHEMBL27977518 0.86 CES1 (0.58) CES2CES1FAAHGPR84PPARG
SCHEMBL28813498 0.85 CES1 (0.56) CES2CES1FAAHGPR84PPARG
SCHEMBL27977807 0.85 CES1 (0.56) CES2CES1FAAHGPR84PPARG
SCHEMBL27977517 0.85 CES1 (0.56) CES2CES1FAAHGPR84PPARG

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-1161518-A2 TOWELETTE PRODUCT UNILEVER PLC (GB) 2001-12-12 EP disclosed
WO-2000056271-A2 TOWELETTE PRODUCT UNILEVER PLC (GB) 2000-09-28 WO disclosed