SCHEMBL23258554

SCHEMBL23258554

CC(C)(C)OC(=O)Oc1ccc(C2(C)CC2)cc(F)c1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.35
▸ PDE2A O00408 2/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ KCNN4 O15554 2/20 0.31
▸ RORC P51449 2/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ BUB1 O43683 1/20 0.30
▸ KDM1A O60341 1/20 0.30

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
SCHEMBL23258883 0.79 ELANE (0.40) ELANEBRD4MTNR1AMTNR1B
SCHEMBL23258507 0.78 AAK1 (0.46) ELANEMTNR1AMTNR1B
SCHEMBL23258509 0.76 HRH3 (0.41) ELANEKDM1A
SCHEMBL14839466 0.72 ELANE (0.44) ELANEBRD4MTNR1AMTNR1B
SCHEMBL23258826 0.72 ELANE (0.41) ELANEBRD4
SCHEMBL27839762 0.71 KIF11 (0.35) KCNN4RORCKDM1A
SCHEMBL23258558 0.70 ELANE (0.40) ELANEBRD4MTNR1AMTNR1BKDM1A
SCHEMBL23259225 0.70 ELANE (0.40) ELANEBRD4MTNR1AMTNR1B
SCHEMBL23258536 0.70 PKM (0.43) ELANEBRD4MTNR1AMTNR1B
SCHEMBL23250692 0.70 OPRD1 (0.38) —

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
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