SCHEMBL23258501

SCHEMBL23258501

CC(C)(C)OC(=O)Oc1cc(Br)ccc(Br)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35
▸ AAK1 Q2M2I8 7/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 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
SCHEMBL23259223 0.85 AAK1 (0.40) ELANEPTGDR2MTNR1AMTNR1BAAK1
SCHEMBL23258477 0.83 PKM (0.40) ELANEMTNR1AMTNR1BRAB9ASMN1; SMN2
SCHEMBL23259153 0.81 ELANE (0.42) ELANEMTNR1AMTNR1BAAK1NPC1
SCHEMBL18089691 0.81 ELANE (0.42) ELANEPTGDR2AAK1NPC1RAB9A
SCHEMBL23258507 0.79 AAK1 (0.46) ELANEPTGDR2MTNR1AMTNR1BAAK1
SCHEMBL23249868 0.79 ELANE (0.41) ELANEMTNR1AMTNR1BAAK1NPC1
SCHEMBL23258536 0.78 PKM (0.43) ELANEMTNR1AMTNR1BAAK1NPC1
SCHEMBL23259165 0.78 ELANE (0.40) HSP90AA1ELANEMTNR1AMTNR1BAAK1
SCHEMBL29233767 0.78 PTGDR2 (0.40) ELANEPTGDR2MTNR1AMTNR1BAAK1
SCHEMBL18857940 0.77 ELANE (0.41) ELANEMTNR1AMTNR1BNPC1SMN1; SMN2

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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