SCHEMBL7304788

SCHEMBL7304788

COc1ccc(-c2cc(=O)c3c(O)cc(OCC(=O)OC(C)(C)C)cc3o2)cc1OC1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 2/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP1B1 Q16678 3/20 0.53
PPARG P37231 1/20 0.50
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
ABCC1 P33527 2/20 0.48
KDM1A O60341 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
IP6K2 Q9UHH9 2/20 0.48
XDH P47989 2/20 0.48
IPMK Q8NFU5 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4394234 0.90 MAPT (0.74) MAPTLMNAPOLBCYP2C9HPGD
SCHEMBL7306885 0.89 CYP1B1 (0.54) POLBCYP2C9HPGDCYP2C19CYP1B1
SCHEMBL7308871 0.89 CYP1B1 (0.56) MAPTLMNAPOLBCYP1B1PPARG
SCHEMBL7311118 0.89 CYP1B1 (0.57) MAPTLMNAPOLBCYP2C9CYP2C19
SCHEMBL7316873 0.89 CYP1B1 (0.57) MAPTLMNAPOLBNPSR1CYP1B1
SCHEMBL7303645 0.89 CYP1B1 (0.57) MAPTLMNAPOLBCYP2C9CYP2C19
SCHEMBL7310036 0.87 CYP1B1 (0.55) MAPTPOLBNPSR1CYP1B1PPARG
SCHEMBL7313546 0.87 PPARG (0.57) MAPTPOLBCYP1B1PPARGCYP1A1
SCHEMBL7306588 0.87 PPARG (0.57) MAPTPOLBCYP1B1PPARGCYP1A1
SCHEMBL7307391 0.85 CYP1B1 (0.53) MAPTPOLBCYP1B1PPARGCYP1A1

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 3 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 disclosed
US-5889003-A PHOSPHODIESTERASE INHIBITOR ADIR ET COMPAGNIE (FR) 1999-03-30 US disclosed
EP-0832886-A1 Flavon derivatives, process for their preparation, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-04-01 EP disclosed