SCHEMBL6254517

SCHEMBL6254517

CCCCC(C)(C)C(=O)OOCCCCC(C)(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
CYP4F2 P78329 4/20 0.39
CYP4A11 Q02928 4/20 0.39
PPARA Q07869 7/20 0.37
LTB4R Q15722 5/20 0.36
TTR P02766 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C8 P10632 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
ADRA1A P35348 1/20 0.35
PPARG P37231 1/20 0.35
HTR2B P41595 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CISD1 Q9NZ45 1/20 0.35

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
SCHEMBL4941852 0.88 CYP4F2 (0.41) CYP4F2CYP4A11PPARATSHRTDP1
SCHEMBL28461481 0.86 CYP4F2 (0.57) CYP4F2CYP4A11PPARATSHRPPARG
SCHEMBL27996146 0.85 CYP4F2 (0.46) CYP4F2CYP4A11TSHR
SCHEMBL27585368 0.83 CYP4F2 (0.49) ACLYACACBACACACYP4F2CYP4A11
SCHEMBL6468858 0.79 LPAR3 (0.37) ACLYACACBACACACYP4F2CYP4A11
SCHEMBL249872 0.78 ACLY (0.56) ACLYACACBACACAPPARATTR
SCHEMBL4540511 0.76 ACLY (0.54) ACLYACACBACACAPPARATTR
Hydrochloric Acid SCHEMBL5669467 0.76 ACLY (0.54) ACLYACACBACACAPPARATTR
SCHEMBL22396506 0.76 ACLY (0.54) ACLYACACBACACAPPARATTR
Calcium SCHEMBL30004003 0.76 ACLY (0.54) ACLYACACBACACAPPARATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572189-A1 METHOD OF LOWERING CRP AND REDUCING SYSTEMIC INFLAMMATION Warner-Lambert Company LLC (US) 2005-09-14 EP disclosed
EP-1539127-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2005-06-15 EP disclosed
WO-2004045596-A1 METHOD OF LOWERING CRP AND REDUCING SYSTEMIC INFLAMMATION WARNER-LAMBERT COMPANY LLC (US) 2004-06-03 WO disclosed
WO-2004017952-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed