SCHEMBL23837408

SCHEMBL23837408

CCC(=O)N[C@H]1Cc2cc(Cl)cc(C(=O)O)c2OB1N=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SIRT2 Q8IXJ6 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
SCHEMBL17347803 0.86 MEN1 (0.36) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL23130024 0.86 MEN1 (0.36) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL17347654 0.77 MTNR1A (0.33) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL17347839 0.76 MEN1 (0.32) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL23837494 0.75 — —
SCHEMBL23837285 0.75 — —
SCHEMBL17347764 0.74 EZH2 (0.30) SIRT2
SCHEMBL23837505 0.74 MTNR1A (0.32) —
SCHEMBL23837496 0.74 MTNR1A (0.31) —
SCHEMBL23130032 0.74 ALDH1A1 (0.34) KDM4EALDH1A1KMT2ASMN1; 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
EP-3882252-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-09-22 — — EP disclosed
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