SCHEMBL9065484

SCHEMBL9065484

CCCOc1cc(C=O)cc(F)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALOX5 P09917 3/20 0.46
STAT3 P40763 2/20 0.46
NFE2L2 Q16236 2/20 0.46
PTGS1 P23219 2/20 0.46
PTGES O14684 1/20 0.46
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 5/20 0.44
FDPS P14324 1/20 0.41
ERN1 O75460 2/20 0.40
STK17B O94768 1/20 0.38
PTGS2 P35354 1/20 0.37
TRIM24 O15164 1/20 0.37
HPGD P15428 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37

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
SCHEMBL8996063 0.92 KDM4E (0.47) KDM4EALOX5STAT3NFE2L2PTGS1
SCHEMBL1515768 0.87 KDM4E (0.61) KDM4EALOX5STAT3NFE2L2PTGS1
SCHEMBL15568711 0.84 ALOX5 (0.42) KDM4EALOX5STAT3NFE2L2PTGS1
SCHEMBL15567583 0.84 ALOX5 (0.55) KDM4EALOX5PTGS1ALDH1A1FDPS
SCHEMBL564282 0.80 ALOX5 (0.66) ALOX5STAT3NFE2L2PTGS1PTGES
SCHEMBL1443525 0.79 FDPS (0.54) KDM4EALDH1A1FDPSHPGDTDP1
SCHEMBL20529187 0.79 FDPS (0.54) KDM4EALDH1A1FDPSTRIM24HPGD
SCHEMBL1515878 0.78 XDH (0.55) KDM4EALDH1A1HPGDALDH5A1ABAT
SCHEMBL9097669 0.78 FDPS (0.47) KDM4EALDH1A1FDPSHPGDTDP1
SCHEMBL13916239 0.76 FDPS (0.41) KDM4EALDH1A1FDPSSTK17BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537742-B1 Styrene derivatives MITSUBISHI CHEM CORP (JP) 1996-08-21 EP disclosed