SCHEMBL8304673

SCHEMBL8304673

CCCc1c(-c2cc(=O)c3c(OC)cc(OCC4=COC(C)(C)O4)cc3o2)ccc(OC)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
ABCB1 P08183 2/20 0.40
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.40
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
POLH Q9Y253 2/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
CYP1B1 Q16678 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
KDM1A O60341 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
ABCC1 P33527 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
SCHEMBL8307532 0.98 L3MBTL1 (0.39) BRD4ABCB1MAOBMAOAKDM4E
SCHEMBL8306914 0.95 CYP1B1 (0.43) ABCB1MAOBMAOAMEN1ALDH1A1
SCHEMBL8307688 0.92 MAPT (0.35) BRD4MAOBMAOAKDM4EMEN1
SCHEMBL8306597 0.91 ABCB1 (0.42) BRD4ABCB1MAOBMAOAKDM4E
SCHEMBL8310185 0.90 MAOB (0.41) BRD4ABCB1MAOBMAOAKDM4E
SCHEMBL8309735 0.89 KDM4E (0.39) ABCB1KDM4EABCG2POLHPOLB
SCHEMBL8308992 0.88 MAOB (0.39) BRD4ABCB1MAOBMAOAKDM4E
SCHEMBL8306988 0.85 CYP1B1 (0.42) ABCB1MAOBMAOAMEN1ALDH1A1
SCHEMBL8431005 0.84 HPGD (0.50) BRD4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL8427269 0.82 EGFR (0.43) KDM4EALDH1A1POLBMAPTCYP1A2

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-0709383-B1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-12-15 EP disclosed
US-5629339-A CHRONIC VENOUS INSUFFICIENCY ADIR ET COMPAGNIE (FR) 1997-05-13 US disclosed
EP-0709383-A1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-01 EP disclosed