SCHEMBL7790611

SCHEMBL7790611

COc1ccc(COC(=O)CCc2ccc(OC(=O)C=Cc3ccc(O)c(O)c3)c(O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.57
MET P08581 7/20 0.56
EPHX2 P34913 2/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
CCR5 P51681 1/20 0.51
CA12 O43570 3/20 0.50
CA4 P22748 3/20 0.50
CA6 P23280 3/20 0.50
CA5A P35218 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
CA1 P00915 1/20 0.50
TTR P02766 2/20 0.49
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
HTR7 P34969 1/20 0.48

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
SCHEMBL3735867 0.82 APP (0.62) APPAKR1B1
SCHEMBL26942283 0.81 APP (0.47) APPMETEPHX2MAOAMAOB
SCHEMBL22217470 0.77 APP (0.77) APPMETCA12CA4CA6
SCHEMBL20914985 0.77 APP (0.77) APPMETCA12CA4CA6
SCHEMBL30683157 0.77 TTR (0.76) APPMETCA12CA4CA6
SCHEMBL26932236 0.77 TTR (0.76) APPMETCA12CA4CA6
SCHEMBL26932149 0.75 TTR (0.56) APPMETEPHX2CA12CA4
SCHEMBL28015223 0.73 APP (0.59) APPMAOAMAOBCA12CA4
SCHEMBL14432081 0.72 MET (1.00) APPMETMAOBCA12CA4
SCHEMBL12246693 0.72 APP (1.00) APPMETCA12CA4CA6

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-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 EP disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 WO disclosed