SCHEMBL29765130

SCHEMBL29765130

COC(=O)c1ccc(Br)cc1OCCC[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ AAK1 Q2M2I8 4/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ CACNA1G O43497 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL24610154 1.00 APLNR (0.36) APLNRMEN1KMT2AALDH1A1PSEN1
SCHEMBL21723770 0.85 CNR2 (0.35) APLNRMEN1KMT2AAAK1L3MBTL1
SCHEMBL21724004 0.79 L3MBTL1 (0.35) APLNRAAK1L3MBTL1SLC2A1MMP9
SCHEMBL21724002 0.79 LMNA (0.40) MEN1KMT2ASLC2A1
SCHEMBL29765181 0.78 L3MBTL1 (0.41) APLNRMEN1KMT2AALDH1A1PSEN1
SCHEMBL21741216 0.78 L3MBTL1 (0.41) APLNRMEN1KMT2AALDH1A1PSEN1
SCHEMBL24610131 0.75 AAK1 (0.46) AAK1
SCHEMBL29765084 0.75 AAK1 (0.46) AAK1
SCHEMBL28504583 0.74 PDK2 (0.45) ALDH1A1AAK1NPC1
SCHEMBL21724005 0.73 LMNA (0.38) MEN1KMT2AL3MBTL1SLC2A1

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
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 — — EP disclosed
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