SCHEMBL23837280

SCHEMBL23837280

O=C(CCN1C(=O)CCC1=O)N[C@H]1Cc2cccc(C(O)O)c2OB1O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ CHRM1 P11229 2/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM3 P20309 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
SCHEMBL17337266 0.85 ALDH1A1 (0.34) ALDH1A1MAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL17337269 0.85 ALDH1A1 (0.34) ALDH1A1MAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL23837376 0.84 SMYD3 (0.34) MAPT
SCHEMBL22667381 0.83 MTNR1A (0.41) ALDH1A1MAPTKMT2AMEN1
SCHEMBL20053206 0.83 SMYD3 (0.38) ALDH1A1
SCHEMBL19228090 0.82 KMT2A (0.39) KMT2A
SCHEMBL18797980 0.82 NAMPT (0.35) MAPT
SCHEMBL23130007 0.81 AAK1 (0.32) MAPT
SCHEMBL19663642 0.81 MAPT (0.34) MAPT
SCHEMBL19663800 0.81 HTT (0.42) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1

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-3882252-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-09-22 — — EP disclosed
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