SCHEMBL8968442

SCHEMBL8968442

C=CCc1cc(CC(C)C(=O)O)cc(CC=C)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.37
FFAR4 Q5NUL3 4/20 0.35
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
CXCR2 P25025 2/20 0.33
PTGS2 P35354 1/20 0.32
CXCR1 P25024 1/20 0.32
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
ELANE P08246 1/20 0.30
PLA2G10 O15496 1/20 0.30
PLA2G2A P14555 1/20 0.30
PLA2G5 P39877 1/20 0.30

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
SCHEMBL27436177 0.79 PPARA (0.39) PPARAPPARG
SCHEMBL8968448 0.78 CXCR2 (0.35) FFAR4CXCR2PTGS2CXCR1KDM4E
SCHEMBL8417750 0.77 PTGS2 (0.38) PPARAPPARDPTGS2KDM4EPOLB
SCHEMBL8418567 0.77 AKR1C3 (0.36) PPARAPPARDKDM4EALDH1A1
SCHEMBL8418577 0.77 PPARA (0.41) PPARAPPARDKDM4EALDH1A1ELANE
SCHEMBL8418495 0.74 PPARA (0.37) PPARAPPARDKDM4EALDH1A1ELANE
SCHEMBL8418491 0.74 PPARA (0.39) PPARAPPARDKDM4EALDH1A1
SCHEMBL4652349 0.73 CXCR2 (0.50) PPARAPPARDEPHX2PPARGCXCR2
SCHEMBL8422008 0.73 PPARA (0.49) PPARAPPARDPPARG
SCHEMBL8418498 0.71 PTGS2 (0.43) CXCR2PTGS2CXCR1KDM4EELANE

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-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed