SCHEMBL7752807

SCHEMBL7752807

CC(C(=O)C=Cc1ccc(O)c(O)c1)C(O)(O)C(=O)C=Cc1ccc(O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.58
PTGS1 P23219 1/20 0.58
APP P05067 3/20 0.51
TTR P02766 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
PTPN1 P18031 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
AKR1B1 P15121 2/20 0.51
NFKB1 P19838 2/20 0.51
DPP4 P27487 2/20 0.51
KMT2A Q03164 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC3 O15379 1/20 0.51
CA12 O43570 1/20 0.51
AKR1B10 O60218 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL15981545 0.80 IAPP (0.66) IAPPPTGS1APPTTRKDM4E
SCHEMBL29345014 0.80 IAPP (0.66) IAPPPTGS1APPTTRKDM4E
SCHEMBL8365088 0.79 IAPP (0.64) IAPPPTGS1APPTTRKDM4E
SCHEMBL19088711 0.77 IAPP (0.66) IAPPPTGS1APPTTRKDM4E
SCHEMBL6378408 0.75 APP (0.53) IAPPPTGS1APPTTRKDM4E
SCHEMBL1881133 0.74 IAPP (1.00) IAPPPTGS1APPTTRKDM4E
SCHEMBL1881134 0.74 IAPP (1.00) IAPPPTGS1APPTTRKDM4E
SCHEMBL29364807 0.74 IAPP (1.00) IAPPPTGS1APPTTRKDM4E
SCHEMBL28825240 0.74 HSD17B10 (0.55) IAPPPTGS1APPTTRKDM4E
SCHEMBL23854648 0.74 HSD17B10 (0.64) IAPPPTGS1APPTTRKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1063888-A1 NOVEL HIV INTEGRASE INHIBITORS AND HIV THERAPY BASED ON DRUG COMBINATIONS INCLUDING INTEGRASE INHIBITORS The Regents of the University of California (US) 2001-01-03 EP disclosed
WO-1999048371-A1 NOVEL HIV INTEGRASE INHIBITORS AND HIV THERAPY BASED ON DRUG COMBINATIONS INCLUDING INTEGRASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-30 WO disclosed