SCHEMBL7306885

SCHEMBL7306885

CCOC(=O)COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(OC4CCCC4)c3)oc2c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 2/20 0.54
CYP1A2 P05177 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
EGFR P00533 10/20 0.51
KDM5A P29375 1/20 0.51
PPARG P37231 1/20 0.51
KDM1A O60341 1/20 0.49
CYP1A1 P04798 1/20 0.49
ABCC1 P33527 1/20 0.49
XDH P47989 1/20 0.49
IPMK Q8NFU5 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
IP6K2 Q9UHH9 1/20 0.49

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
SCHEMBL7305783 0.91 CYP1B1 (0.52) CYP1B1CYP1A2ALDH1A1POLBEGFR
SCHEMBL7308871 0.90 CYP1B1 (0.56) CYP1B1CYP1A2ALDH1A1POLBPPARG
SCHEMBL7303645 0.90 CYP1B1 (0.57) CYP1B1CYP1A2ALDH1A1POLBCYP3A4
SCHEMBL7316873 0.90 CYP1B1 (0.57) CYP1B1CYP1A2ALDH1A1POLBEGFR
SCHEMBL7311118 0.90 CYP1B1 (0.57) CYP1B1CYP1A2ALDH1A1POLBCYP3A4
SCHEMBL4393314 0.90 CYP1B1 (0.67) CYP1B1CYP1A2KDM4EALDH1A1POLB
SCHEMBL7304788 0.89 MAPT (0.63) CYP1B1CYP1A2ALDH1A1POLBCYP2C9
SCHEMBL7307391 0.89 CYP1B1 (0.53) CYP1B1CYP1A2ALDH1A1POLBEGFR
SCHEMBL7310036 0.89 CYP1B1 (0.55) CYP1B1CYP1A2ALDH1A1POLBEGFR
SCHEMBL10472448 0.89 CYP1A2 (0.63) CYP1B1CYP1A2KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832886-B1 Flavon derivatives, process for their preparation, and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-11-13 EP claimed
US-5889003-A PHOSPHODIESTERASE INHIBITOR ADIR ET COMPAGNIE (FR) 1999-03-30 US claimed
EP-0832886-A1 Flavon derivatives, process for their preparation, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-04-01 EP claimed
EP-0832886-B1 Flavon derivatives, process for their preparation, and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-11-13 EP disclosed
EP-0832886-A1 Flavon derivatives, process for their preparation, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-04-01 EP disclosed