SCHEMBL7702282

SCHEMBL7702282

COc1cc2nc3ccccc3c(C(=O)OC(C(F)(F)F)C(F)(F)F)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.43
NQO2 P16083 1/20 0.42
DHODH Q02127 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRA6 Q16445 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
POLB P06746 2/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL7702925 0.92 ABHD6 (0.46) NQO2GABRA1GABRG2GABRB3GABRA5
SCHEMBL7701145 0.86 GABRA1 (0.46) DHODHGABRA1GABRG2GABRB3GABRA5
SCHEMBL7703696 0.86 KDM4E (0.43) NQO2GABRA1GABRG2GABRB3GABRA5
SCHEMBL7703348 0.82 PLA2G2A (0.46) DHODHGABRA1GABRG2GABRB3GABRA5
SCHEMBL7698330 0.81 PLA2G2A (0.45) DHODHGABRA1GABRG2GABRB3GABRA5
SCHEMBL7702486 0.80 ALOX15 (0.57) ALOX15NQO2DHODHPOLBALDH1A1
SCHEMBL7702301 0.80 ALOX15 (0.41) ALOX15NQO2DHODHPOLBPDE3B
SCHEMBL8169053 0.79 PLA2G2A (0.47) DHODHABHD6POLBALDH1A1MEN1
SCHEMBL7702922 0.73 PDE3B (0.41) NQO2POLBPDE3BPDE3AALDH1A1
SCHEMBL9944375 0.71 MEN1 (0.58) DHODHPOLBALDH1A1MAPTMEN1

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