SCHEMBL8308751

SCHEMBL8308751

C=CCOc1c(CC=C)cc2c(=O)cc(-c3ccc(OC)c(O)c3CC=C)oc2c1CC=C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP1A1 P04798 8/20 0.40
CYP1B1 Q16678 8/20 0.40
CYP1A2 P05177 7/20 0.40
TERT O14746 3/20 0.39
KDM4E B2RXH2 3/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
ELANE P08246 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8304148 0.79 DYRK1A (0.49) PTGS2ALDH1A1HPGDCYP3A4CYP1A1
SCHEMBL30598448 0.77 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4MAPTCYP2C9
SCHEMBL4574807 0.77 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4MAPTCYP2C9
SCHEMBL8429377 0.76 ALDH1A1 (0.39) PTGS1PTGS2ALDH1A1HPGDCYP3A4
SCHEMBL8308046 0.76 MAOB (0.52) PTGS1PTGS2ALDH1A1CYP3A4MAPT
SCHEMBL8307482 0.73 AKT1 (0.56) PTGS1PTGS2HPGDMAPTCYP1A1
SCHEMBL8309333 0.72 CYP1B1 (0.57) PTGS1ALDH1A1HPGDCYP3A4MAPT
SCHEMBL8431096 0.71 ALDH1A1 (0.39) PTGS1PTGS2ALDH1A1HPGDCYP3A4
SCHEMBL8305036 0.70 MAPT (0.59) CYP3A4MAPTCYP2C9CYP2C19CYP1A1
SCHEMBL8427330 0.69 PTPN1 (0.39) PTGS1PTGS2ALDH1A1HPGDCYP3A4

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