SCHEMBL14541271

SCHEMBL14541271

CC1(C)C=Cc2cc(C(=O)c3ccc(O)cc3)ccc2O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 1/20 0.52
▸ PTPN1 P18031 3/20 0.51
▸ HPGD P15428 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ XDH P47989 2/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ PPARG P37231 1/20 0.46
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TYR P14679 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ ODC1 P11926 1/20 0.43

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
SCHEMBL482234 0.89 COXFA4 (0.49) COXFA4PTPN1HPGDALDH1A1TDP1
SCHEMBL16865499 0.84 COXFA4 (0.48) COXFA4PTPN1HPGDALDH1A1TDP1
SCHEMBL30874660 0.82 COXFA4 (0.53) COXFA4PTPN1HPGDALDH1A1TDP1
SCHEMBL8066269 0.82 COXFA4 (0.53) COXFA4PTPN1HPGDALDH1A1TDP1
SCHEMBL6648245 0.82 ALDH1A1 (0.57) COXFA4PTPN1HPGDALDH1A1TDP1
SCHEMBL30140565 0.81 XDH (0.68) COXFA4PTPN1HPGDALDH1A1TDP1
SCHEMBL8723354 0.81 XDH (0.68) COXFA4PTPN1HPGDALDH1A1TDP1
SCHEMBL16694172 0.81 COXFA4 (0.59) COXFA4ALDH1A1CYP3A4HIF1AEPAS1
SCHEMBL11398330 0.78 COXFA4 (0.62) COXFA4PTPN1HPGDALDH1A1TDP1
SCHEMBL7766618 0.77 COXFA4 (0.49) COXFA4PTPN1HPGDALDH1A1TDP1

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
WO-2007039609-A1 PYRANODIBENZOFURAN DERIVATIVES WITH ANTIFUNGAL AND ANTIBACTERIAL ACTIVITY INSTITUT PASTEUR (FR) 2007-04-12 — — WO disclosed
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