SCHEMBL7474599

SCHEMBL7474599

Cc1oc(-c2ccccc2S(C)(=O)=O)c(Oc2ccc(Cl)cc2)c(=O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 1/20 0.44
PTGS2 P35354 7/20 0.43
ELANE P08246 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
PTGS1 P23219 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
DNMT1 P26358 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL7487974 0.91 PTGS2 (0.42) ALDH1A1KDM4ERAB9APTGS2CES2
SCHEMBL1376503 0.82 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5101395 0.79 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL5094209 0.70 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5094165 0.68 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7450024 0.67 HTR2A (0.47) ALDH1A1KDM4ERAB9APTGS2PTGS1
SCHEMBL1379215 0.66 PTGS2 (0.54) PTGS2PTGS1HSD11B1
SCHEMBL6901981 0.65 PTGS2 (0.68) ALDH1A1KDM4ERAB9APTGS2PTGS1
SCHEMBL7606499 0.62 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL1377386 0.62 PTGS2 (0.56) PTGS2PTGS1

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-1263751-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES Almirall Prodesfarma AG (CH) 2002-12-11 EP claimed
WO-2001068633-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2001-09-20 WO claimed