SCHEMBL28511408

SCHEMBL28511408

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(Cc1ccc(Br)cc1I)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 6/20 0.39
▸ CTSS P25774 3/20 0.35
▸ CTSK P43235 3/20 0.35
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ MME P08473 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ SLC7A5 Q01650 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL18170236 0.91 AAK1 (0.39) AAK1CTSSCTSKMTNR1AMTNR1B
SCHEMBL29286182 0.88 MTNR1A (0.33) MTNR1AMTNR1BSLC7A5
SCHEMBL29286181 0.88 MTNR1A (0.33) MTNR1AMTNR1BSLC7A5
SCHEMBL28513981 0.86 AAK1 (0.41) AAK1CTSSCTSK
SCHEMBL22068822 0.84 AAK1 (0.37) AAK1CTSSCTSKMMECTSB
SCHEMBL22068770 0.79 USP30 (0.36) AAK1
SCHEMBL25528807 0.78 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL25528806 0.78 AAK1 (0.40) AAK1CTSSCTSKMTNR1AMTNR1B
SCHEMBL18179190 0.77 AAK1 (0.39) AAK1CTSSCTSKCTSBALDH1A1
SCHEMBL4954960 0.77 MTNR1A (0.35) CTSSCTSKMTNR1AMTNR1BSLC7A5

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
CN-105916836-B Method for producing 2-fluoro-4-borono-L-phenylalanine and precursor thereof 斯特拉制药公司 2021-02-09 — — CN disclosed
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