SCHEMBL8968448

SCHEMBL8968448

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.35
FFAR1 O14842 3/20 0.35
FFAR4 Q5NUL3 2/20 0.35
CXCR1 P25024 1/20 0.34
PLA2G10 O15496 2/20 0.34
PLA2G2A P14555 2/20 0.34
PLA2G5 P39877 2/20 0.34
RXRA P19793 1/20 0.33
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
POLB P06746 1/20 0.30
EEF2K O00418 1/20 0.30
ELANE P08246 1/20 0.30
PTGS2 P35354 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
SCHEMBL8968442 0.78 PPARA (0.37) CXCR2FFAR4CXCR1PLA2G10PLA2G2A
SCHEMBL8417747 0.77 FFAR1 (0.39) FFAR1PTGDRPTGDR2KDM4EPOLB
SCHEMBL8422012 0.75 PTGDR (0.37) CXCR2FFAR1CXCR1PTGDRPTGDR2
SCHEMBL27436177 0.74 PPARA (0.39) RXRAPTGDRPTGDR2
SCHEMBL8419815 0.74 POLB (0.50) FFAR1RXRAPOLBPTGS2
SCHEMBL8418498 0.74 PTGS2 (0.43) CXCR2CXCR1PTGDRPTGDR2KDM4E
SCHEMBL4652352 0.73 CXCR2 (0.57) CXCR2FFAR1FFAR4CXCR1PLA2G10
SCHEMBL8418567 0.72 AKR1C3 (0.36) KDM4ES1PR1
SCHEMBL8421517 0.72 PTGDR (0.48) FFAR1PTGDRPTGDR2KDM4E
SCHEMBL27437226 0.71 ELANE (0.40) CXCR2CXCR1PTGDRPTGDR2KDM4E

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