SCHEMBL7698174

SCHEMBL7698174

COc1cc2nc3cc(OC)c(OC)cc3c(C(=O)O)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
ALOX15 P16050 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
NQO2 P16083 1/20 0.46
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.44
WHR1 P49842 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
PDGFRB P09619 1/20 0.43

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
SCHEMBL7702486 0.91 ALOX15 (0.57) ALOX15NQO2KMT2ASMN1; SMN2POLB
SCHEMBL28757799 0.82 CA12 (0.42) PDE3BPDE3AALOX15CA12CA1
SCHEMBL9424690 0.80 KDM4E (0.44) PDE3BPDE3AALOX15CA12CA1
SCHEMBL5202630 0.78 PDE10A (0.66) WHR1TSHR
SCHEMBL8643555 0.77 GABRA1 (0.43) PDE3BPDE3AKMT2ASMN1; SMN2KDM4E
SCHEMBL641481 0.76 KDM4E (0.62) NQO2KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL2910842 0.76 ALOX15 (0.56) PDE3BPDE3AALOX15KMT2ASMN1; SMN2
SCHEMBL9424974 0.76 SRC (0.41) PDE3BPDE3AALOX15KMT2ASMN1; SMN2
SCHEMBL5203107 0.75 WHR1 (0.52) PDE3BPDE3AKMT2ASMN1; SMN2POLB
SCHEMBL22969068 0.75 KDM4E (0.53) NQO2KMT2ASMN1; SMN2POLBKDM4E

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-0915851-B1 DIBENZODIHYDROPYRIDINECARBOXYLIC ESTERS AND THEIR USE IN CHEMILUMINESCENT ASSAY METHODS NEDERLANDEN STAAT (NL) 2002-03-20 EP disclosed
US-6030803-A FOR USE AS SUBSTRATE IN PEROXIDASE ASSAYS; ALPHA-CARBON ATOM OF THE ESTER ALKYL GROUP IS AN ALIPHATIC CARBON ATOM DE STAAT DER NEDERLANDEN, VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGESZONHEID EN CULTUUR (NL) 2000-02-29 US disclosed