SCHEMBL9887746

SCHEMBL9887746

O=NC(=O)c1ccc(O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA7 P43166 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ CA14 Q9ULX7 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ ESRRG P62508 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ESR1 P03372 3/20 0.37
▸ ESR2 Q92731 2/20 0.37
▸ ALOX5 P09917 1/20 0.36

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
SCHEMBL11015067 0.79 CES2 (0.48) CES2ALDH1A1CA12CA1CA2
SCHEMBL18714113 0.78 CSNK2A1 (0.41) CES2ALDH1A1TSHRCES1LMNA
SCHEMBL25667839 0.78 CES2 (0.39) CES2CES1DGAT1
SCHEMBL311907 0.77 CA12 (0.61) CES2ALDH1A1CA12CA1CA2
SCHEMBL3816558 0.77 CES2 (0.46) CES2ALDH1A1CA12CA1CA2
SCHEMBL14366203 0.75 CA12 (0.59) CES2ALDH1A1CA12CA1CA2
SCHEMBL9627405 0.75 ALDH1A1 (0.54) CES2ALDH1A1CA12CA1CA2
Hydrochloric Acid SCHEMBL9627416 0.75 CA12 (0.59) CES2ALDH1A1CA12CA1CA2
SCHEMBL3810726 0.75 CES2 (0.45) CES2ALDH1A1CA12CA1CA2
SCHEMBL29799863 0.75 MAOB (0.50) CES2ALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463269-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-28 — — EP disclosed
EP-2460786-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-01-13 — — EP disclosed
EP-2463269-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-13 — — EP disclosed
EP-2460786-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-06 — — EP disclosed
Send feedback