SCHEMBL7702925

SCHEMBL7702925

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.46
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
WHR1 P49842 3/20 0.38
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
NQO2 P16083 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE10A Q9Y233 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL7702282 0.92 ALOX15 (0.43) ABHD6PDE3BPDE3AKMT2ASMN1; SMN2
SCHEMBL8169053 0.81 PLA2G2A (0.47) ABHD6KMT2AKDM4EPOLBALDH1A1
SCHEMBL7702922 0.80 PDE3B (0.41) PDE3BPDE3AKMT2ASMN1; SMN2KDM4E
SCHEMBL7703696 0.76 KDM4E (0.43) ABHD6KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL7698174 0.74 PDE3B (0.47) PDE3BPDE3AKMT2ASMN1; SMN2KDM4E
SCHEMBL7701145 0.74 GABRA1 (0.46) ABHD6KMT2ASMN1; SMN2KDM4EPOLB
Trifluoromethanesulfonic Acid SCHEMBL7697990 0.73 ABHD6 (0.39) ABHD6
SCHEMBL7703348 0.71 PLA2G2A (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7698330 0.70 PLA2G2A (0.45) KDM4EPOLBALDH1A1GABRA1GABRG2
SCHEMBL7702301 0.70 ALOX15 (0.41) PDE3BPDE3AKMT2ASMN1; SMN2KDM4E

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