SCHEMBL18798014

SCHEMBL18798014

CCCC(=O)N[C@H]1Cc2cccc(C(O)OCOC(=O)C3CCCCC3)c2OB1O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ HRH3 Q9Y5N1 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
SCHEMBL19228029 0.93 MTNR1A (0.32) MTNR1AMTNR1BMAPTTDP1
SCHEMBL19228023 0.93 ALDH1A1 (0.30) ALDH1A1MAPTL3MBTL1
SCHEMBL18797996 0.90 CASP3 (0.31) —
SCHEMBL18797966 0.89 MTNR1A (0.35) MTNR1AMTNR1BALDH1A1
SCHEMBL22667375 0.86 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL23837421 0.84 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL17347749 0.84 TDP1 (0.39) MTNR1AMTNR1BALDH1A1MAPTTDP1
SCHEMBL23129881 0.84 TDP1 (0.39) MTNR1AMTNR1BALDH1A1MAPTTDP1
SCHEMBL22667381 0.80 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL18797987 0.80 — —

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
US-9637504-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-05-02 — — US disclosed
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