SCHEMBL8429282

SCHEMBL8429282

CCCc1c(-c2cc(=O)c3c(O)cc(OCC(O)CO)cc3o2)ccc(OC)c1OCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.45
PPARG P37231 1/20 0.45
QPCT Q16769 1/20 0.43
EGFR P00533 15/20 0.43
RET P07949 1/20 0.43
KDR P35968 1/20 0.43
CYP1B1 Q16678 2/20 0.41
KDM1A O60341 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
ABCC1 P33527 1/20 0.41
IPMK Q8NFU5 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41

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
SCHEMBL8431088 0.93 HPGD (0.43) PPARGCYP1A2
SCHEMBL4575066 0.88 CYP1B1 (0.46) XDHPPARGQPCTEGFRRET
SCHEMBL4574734 0.88 CYP1B1 (0.46) XDHPPARGQPCTEGFRRET
SCHEMBL4575775 0.88 CYP1B1 (0.46) XDHPPARGQPCTEGFRRET
SCHEMBL8306985 0.85 BRD4 (0.47) QPCT
SCHEMBL4575214 0.84 KDM1A (0.49) XDHKDM1ACYP1A2
SCHEMBL8576791 0.83 QPCT (0.42) PPARGQPCTEGFRRETKDR
SCHEMBL8427180 0.83 XDH (0.55) XDHPPARGEGFRRETKDR
SCHEMBL8431111 0.83 CYP1B1 (0.57) XDHPPARGEGFRRETKDR
SCHEMBL8309780 0.82 BRD4 (0.46)

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