SCHEMBL13757307

SCHEMBL13757307

O=C(COc1cccc(NC(=O)c2cc(-c3cccc(F)c3)ccc2F)c1)NCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.45
AHR P35869 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 3/20 0.44
F10 P00742 2/20 0.44
HTT P42858 1/20 0.43
SYK P43405 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LCLAT1 Q6UWP7 1/20 0.42
THRB P10828 1/20 0.42
ACACA Q13085 1/20 0.42
STAT5A P42229 2/20 0.41
STAT5B P51692 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
SCHEMBL13062828 0.89 PTGER2 (0.52) PTGER2SMN1; SMN2AHRMAPTLMNA
SCHEMBL13063095 0.89 PTGER2 (0.58) PTGER2SMN1; SMN2AHRMAPTLMNA
SCHEMBL13063094 0.88 PTGER2 (0.50) PTGER2SMN1; SMN2AHRMAPTLMNA
SCHEMBL13757306 0.87 PTGER2 (0.53) PTGER2SMN1; SMN2AHRMAPTLMNA
SCHEMBL3062083 0.86 PTGER2 (0.67) PTGER2SMN1; SMN2AHRMAPTLMNA
SCHEMBL29781355 0.86 PTGER2 (0.67) PTGER2SMN1; SMN2AHRMAPTLMNA
SCHEMBL29372302 0.86 PTGER2 (0.67) PTGER2SMN1; SMN2AHRMAPTLMNA
SCHEMBL3662869 0.85 PTGER2 (0.52) PTGER2SMN1; SMN2AHRMAPTLMNA
SCHEMBL3659169 0.85 PTGER2 (0.55) PTGER2SMN1; SMN2AHRMAPTLMNA
SCHEMBL3660760 0.84 ALDH1A1 (0.55) PTGER2SMN1; SMN2AHRMAPTLMNA

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-2009098458-A2 BIARYL AMIDES ASTERAND UK LIMITED (GB) 2009-08-13 WO disclosed