SCHEMBL8429609

SCHEMBL8429609

CCCc1c(O)c(CCC)c2oc(-c3ccc(OC)c(OCC(=O)O)c3)cc(=O)c2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
ELANE P08246 1/20 0.53
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TERT O14746 1/20 0.46
ABCB1 P08183 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
CYP1B1 Q16678 2/20 0.45

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
SCHEMBL8431822 0.90 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4MAPK1USP2
SCHEMBL8574988 0.89 DYRK1A (0.50) ALDH1A1MAPTCYP3A4MAPK1USP2
SCHEMBL8570704 0.86 HDAC6 (0.58) CYP1B1CYP1A1CYP1A2OPRD1HDAC6
SCHEMBL8429191 0.85 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4MAPK1USP2
SCHEMBL8429610 0.79 DYRK1A (0.48) ALDH1A1MAPTCYP3A4MAPK1USP2
SCHEMBL4575458 0.79 KDM4E (0.47) ALDH1A1MAPTCYP3A4MAPK1USP2
SCHEMBL8431065 0.78 DYRK1A (0.55) ALDH1A1MAPTCYP3A4MAPK1USP2
SCHEMBL8431081 0.77 ALDH1A1 (0.48) ALDH1A1MAPTCYP3A4MAPK1USP2
SCHEMBL8570785 0.76 HDAC6 (0.56) ALDH1A1CYP3A4KDM4EPOLBHPGD
SCHEMBL10474033 0.75 CYP1B1 (0.78) ALDH1A1MAPTCYP3A4MAPK1USP2

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-0803503-B1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR (FR) 1999-11-03 EP disclosed
US-5792789-A TREATING HYPERPERMEABILITY AND INFLAMMATION ADIR ET COMPAGNIE (FR) 1998-08-11 US disclosed
EP-0803503-A1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-10-29 EP disclosed