SCHEMBL8307688

SCHEMBL8307688

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPARG P37231 1/20 0.34
POLH Q9Y253 1/20 0.34
MEN1 O00255 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL8304673 0.92 BRD4 (0.40) MAPTKDM4ECYP3A4HSD17B10ALDH1A1
SCHEMBL8307532 0.91 L3MBTL1 (0.39) MAPTHPGDKDM4ECYP3A4ALDH1A1
SCHEMBL8306914 0.89 CYP1B1 (0.43) MAPTCYP3A4ALDH1A1SMN1; SMN2KCNA5
SCHEMBL8306597 0.83 ABCB1 (0.42) KDM4EALDH1A1PPARGMEN1KMT2A
SCHEMBL8309735 0.83 KDM4E (0.39) MAPTKDM4EPOLBPOLH
SCHEMBL8310185 0.83 MAOB (0.41) MAPTKDM4ECYP3A4HSD17B10ALDH1A1
SCHEMBL8308992 0.82 MAOB (0.39) MAPTKDM4ECYP3A4HSD17B10ALDH1A1
SCHEMBL8859601 0.81 BRD4 (0.39) MAPTHPGDKDM4ECYP3A4HSD17B10
SCHEMBL8859603 0.81 BRD4 (0.39) MAPTHPGDKDM4ECYP3A4HSD17B10
SCHEMBL8309125 0.81 CYP1B1 (0.52) MAPTCYP3A4ALDH1A1SMN1; SMN2KCNA5

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