SCHEMBL7704087

SCHEMBL7704087

O=C(OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)c1c2ccccc2nc2ccc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.43
DHODH Q02127 4/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
FABP3 P05413 3/20 0.39
FABP4 P15090 3/20 0.39
IGF1R P08069 2/20 0.38
GRM2 Q14416 1/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
CASP6 P55212 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FABP5 Q01469 2/20 0.37

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
SCHEMBL7706778 0.87 PLA2G2A (0.46) PLA2G2ADHODHALDH1A1GAACYP2C9
SCHEMBL7698327 0.83 PLA2G2A (0.42) PLA2G2ADHODHALDH1A1GAACYP2C9
SCHEMBL7702301 0.82 ALOX15 (0.41) DHODHALDH1A1IGF1RPOLBTDP1
SCHEMBL7698330 0.79 PLA2G2A (0.45) PLA2G2ADHODHALDH1A1GAACYP2C9
SCHEMBL11775249 0.77 PLA2G2A (0.67) PLA2G2ADHODHALDH1A1GAACYP2C9
SCHEMBL7699106 0.75 DHODH (0.58) PLA2G2ADHODHALDH1A1GAACYP2C9
Trifluoromethanesulfonic Acid SCHEMBL7699753 0.73 LMNA (0.35) ALDH1A1
SCHEMBL9644867 0.73 MAPT (0.53) ALDH1A1L3MBTL1
SCHEMBL38662579 0.72 MEN1 (0.48) DHODHALDH1A1GAAPOLBL3MBTL1
SCHEMBL8169360 0.70 DHODH (0.42) PLA2G2ADHODHALDH1A1

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