SCHEMBL8969655

SCHEMBL8969655

C=CCc1cc(C(O)C(=O)O)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
ELANE P08246 1/20 0.36
CXCR2 P25025 2/20 0.34
CXCR1 P25024 1/20 0.34
KDM4E B2RXH2 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8418498 0.87 PTGS2 (0.43) PTGDRPTGDR2ELANECXCR2CXCR1
SCHEMBL27437226 0.82 ELANE (0.40) PTGDRPTGDR2NPSR1ELANECXCR2
SCHEMBL8422012 0.81 PTGDR (0.37) PTGDRPTGDR2NPSR1ELANECXCR2
SCHEMBL27433601 0.79 CXCR2 (0.33) PTGDRPTGDR2ELANECXCR2CXCR1
SCHEMBL8422008 0.77 PPARA (0.49)
SCHEMBL8420145 0.76 PTGDR2 (0.52) PTGDRPTGDR2TSHRL3MBTL1ALDH1A1
SCHEMBL4771232 0.76 ELANE (0.46) PTGDRPTGDR2ELANEKDM4EL3MBTL1
SCHEMBL8417976 0.76 PPARA (0.42) PTGDRPTGDR2ALOX5
SCHEMBL8971311 0.76 PTGDR (0.38) PTGDRPTGDR2ELANEKDM4EALOX5
SCHEMBL8420019 0.76 KDM4E (0.39) PTGDRPTGDR2TSHRELANEKDM4E

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