SCHEMBL7476929

SCHEMBL7476929

O=C(COc1[c]cccc1)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 2/20 0.42
ALOX15 P16050 1/20 0.42
CYP19A1 P11511 1/20 0.41
LMNA P02545 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
PTPN7 P35236 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
ELANE P08246 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
SCHEMBL902241 0.81 ALOX15 (0.53) HPGDKMT2AALDH1A1MEN1ALOX15
SCHEMBL2565533 0.80 KMT2A (0.40) KMT2AALDH1A1MEN1LMNAL3MBTL1
SCHEMBL472034 0.79 ALOX15 (0.65) HPGDKMT2AALDH1A1MEN1GAA
SCHEMBL1444265 0.77 ALDH1A1 (0.48) HPGDALDH1A1GAALMNAKDM4E
SCHEMBL6491544 0.77 TDP1 (0.49) HPGDKMT2AALDH1A1MEN1ALOX15
SCHEMBL5177256 0.76 PTPN1 (0.39) HPGDKMT2AALDH1A1MEN1LMNA
SCHEMBL8942872 0.76 TDP1 (0.43) HPGDKMT2AALDH1A1MEN1GAA
SCHEMBL11850746 0.76 KMT2A (0.39) HPGDKMT2AALDH1A1ALOX15L3MBTL1
SCHEMBL1803317 0.76 KDM4E (0.46) HPGDKMT2AALDH1A1MEN1GAA
SCHEMBL7476145 0.74 GABRA1 (0.34) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed