SCHEMBL8429592

SCHEMBL8429592

C=CCc1c(-c2cc(=O)c3c(O)cc(OCC(=O)O)cc3o2)ccc(OC)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.52
PPARG P37231 1/20 0.51
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
ABL1 P00519 3/20 0.46
CYP1B1 Q16678 2/20 0.46
IP6K2 Q9UHH9 2/20 0.46
EGFR P00533 2/20 0.46
KDM1A O60341 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
ABCC1 P33527 1/20 0.46
IPMK Q8NFU5 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RET P07949 1/20 0.46
KDR P35968 1/20 0.46
NPC1 O15118 1/20 0.45
ABCB1 P08183 1/20 0.45
CYP3A4 P08684 1/20 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
SCHEMBL8427185 0.93 POLB (0.47) XDHPPARGNPSR1MAPTLMNA
SCHEMBL8308046 0.90 MAOB (0.52) XDHPPARGMAPTLMNACYP1B1
SCHEMBL8429201 0.90 KDM4E (0.51) PPARGMAPTLMNAEGFRCYP1A2
SCHEMBL8305036 0.89 MAPT (0.59) XDHPPARGNPSR1MAPTLMNA
SCHEMBL8427180 0.88 XDH (0.55) XDHPPARGNPSR1EGFRRET
SCHEMBL8309333 0.87 CYP1B1 (0.57) XDHMAPTLMNACYP1B1IP6K2
SCHEMBL8431286 0.86 KDM4E (0.40) XDHPPARGNPSR1MAPTLMNA
SCHEMBL8429185 0.85 XDH (0.53) XDHPPARGNPSR1MAPTLMNA
SCHEMBL8305322 0.85 CYP1B1 (0.43) XDHPPARGMAPTLMNACYP1B1
SCHEMBL8859506 0.85 CYP1B1 (0.43) XDHPPARGMAPTLMNACYP1B1

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