SCHEMBL23129898

SCHEMBL23129898

COC(=O)c1cccc2c1OB(O)C(NC(=O)CCCC(C)=O)C2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ TRPA1 O75762 4/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ DRD2 P14416 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
SCHEMBL17347856 1.00 LMNA (0.37) LMNAALDH1A1MAPTPRMT5WDR77
SCHEMBL17337206 0.94 LMNA (0.38) LMNAALDH1A1TRPA1MTNR1AMTNR1B
SCHEMBL17337203 0.94 LMNA (0.38) LMNAALDH1A1TRPA1MTNR1AMTNR1B
SCHEMBL17337392 0.91 TSHR (0.35) ALDH1A1MAPTTSHRPDE4B
SCHEMBL17337390 0.91 TSHR (0.35) ALDH1A1MAPTTSHRPDE4B
SCHEMBL17349749 0.91 ALDH1A1 (0.40) ALDH1A1MAPTMTNR1AMTNR1BDRD2
SCHEMBL23837371 0.90 MAPT (0.32) MAPT
SCHEMBL17349764 0.90 ALDH1A1 (0.41) ALDH1A1MTNR1AMTNR1BDRD2
SCHEMBL17337050 0.90 MAPT (0.35) ALDH1A1MAPTMTNR1AMTNR1BHTT
SCHEMBL17337109 0.90 MAPT (0.35) ALDH1A1MAPTMTNR1AMTNR1BHTT

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-3154989-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2021-03-24 — — EP disclosed
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