SCHEMBL23258558

SCHEMBL23258558

CC(C)(C)OC(=O)Oc1ccc(F)cc(I)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
BRD4 O60885 2/20 0.34
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23258826 0.84 ELANE (0.41) ELANEGABRA1GABRG2GABRB3GABRA5
SCHEMBL27018562 0.83 ELANE (0.42) ELANEMTNR1AMTNR1BBRD4SMN1; SMN2
SCHEMBL23258536 0.82 PKM (0.43) ELANEMTNR1AMTNR1BGABRA1GABRG2
SCHEMBL14839466 0.81 ELANE (0.44) ELANEMTNR1AMTNR1BGABRA1GABRG2
SCHEMBL23258559 0.80 ELANE (0.38) ELANEGABRA1GABRG2GABRB3GABRA5
SCHEMBL23258557 0.79 ELANE (0.37) ELANEMTNR1AMTNR1BGABRA1GABRG2
SCHEMBL23258561 0.78 ELANE (0.44) ELANEMTNR1AMTNR1BGABRA1GABRG2
SCHEMBL23258883 0.77 ELANE (0.40) ELANEMTNR1AMTNR1BBRD4CYP1A2
SCHEMBL7714404 0.76 ELANE (0.41) ELANEMTNR1AMTNR1BBRD4CA2
SCHEMBL15868700 0.76 ELANE (0.41) ELANEMTNR1AMTNR1BGABRA1GABRG2

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-2021076938-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 WO disclosed