SCHEMBL23130239

SCHEMBL23130239

CCC(=O)NC1Cc2cc(Cl)c(Cl)c(C(=O)O)c2OB1O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.30
▸ MTNR1B P49286 2/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 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
SCHEMBL17347791 1.00 MTNR1A (0.30) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL17347653 0.91 MTNR1A (0.33) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL17347784 0.88 ALDH1A1 (0.32) CA12CA1CA2CA7CA9
SCHEMBL17347778 0.88 — —
SCHEMBL23130190 0.88 ALDH1A1 (0.32) CA12CA1CA2CA7CA9
SCHEMBL17347833 0.87 CAT (0.30) —
SCHEMBL17347789 0.85 MTNR1A (0.33) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL23130023 0.85 MTNR1A (0.33) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL23129960 0.82 — —
SCHEMBL17347826 0.82 — —

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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