SCHEMBL6514898

SCHEMBL6514898

O=C(O)C(Oc1ccc(OC(F)(F)F)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.58
EPHX2 P34913 2/20 0.50
KMT2A Q03164 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
AURKA O14965 1/20 0.44
TPX2 Q9ULW0 1/20 0.44
FAAH O00519 1/20 0.43
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
FPR2 P25090 1/20 0.43
DHODH Q02127 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.41
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC7A5 Q01650 2/20 0.41

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
SCHEMBL3072202 0.81 CYP2C9 (0.59) EPHX2KMT2AGAAEPHX1ALDH1A1
SCHEMBL11304140 0.78 CYP2C9 (0.54) EPHX2FAAHFPR2GAAEPHX1
SCHEMBL16711884 0.78 SMN1; SMN2 (0.58) EPHX2
SCHEMBL15646890 0.77 EPHX2 (0.50) EPHX2KMT2ATRPV1AURKATPX2
SCHEMBL14763132 0.76 LMNA (0.50) EPHX2KMT2AAURKATPX2FAAH
SCHEMBL10992464 0.75 AKR1C2 (0.54) EPHX2KMT2AAURKATPX2EPHX1
SCHEMBL16711897 0.75 PPARG (0.46) EPHX2AURKATPX2
SCHEMBL5641484 0.75 EPHX1 (0.46) EPHX2KMT2AGRIK1GRIK2FPR2
SCHEMBL2560281 0.74 LDHA (0.65) LDHAGAA
SCHEMBL7470489 0.74 EPHX2 (0.47) EPHX2KMT2AAURKATPX2FAAH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005123714-A1 QUINAZOLINE COMPOUNDS AND THEIR USE IN MCH-RELATED DISEASE 7TM PHARMA A/S (DK) 2005-12-29 WO disclosed