SCHEMBL23130211

SCHEMBL23130211

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAT P04040 1/20 0.35
▸ CHRM1 P11229 1/20 0.32
▸ MTNR1A P48039 2/20 0.30
▸ MTNR1B P49286 2/20 0.30
▸ CA12 O43570 2/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA7 P43166 2/20 0.30
▸ CA14 Q9ULX7 2/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL17347840 1.00 CAT (0.35) CATCHRM1MTNR1AMTNR1BCA12
SCHEMBL23129937 0.91 CAT (0.34) CATMTNR1AMTNR1BCA12CA1
SCHEMBL17347659 0.91 CAT (0.34) CATMTNR1AMTNR1BCA12CA1
SCHEMBL18662447 0.88 CAT (0.33) CAT
SCHEMBL23129969 0.88 ALDH1A1 (0.32) CHRM1
SCHEMBL17347785 0.88 ALDH1A1 (0.32) CHRM1
SCHEMBL17336968 0.88 CAT (0.33) CAT
SCHEMBL17336970 0.88 CAT (0.33) CAT
SCHEMBL17286467 0.88 CAT (0.33) CAT
SCHEMBL17347797 0.87 CAT (0.37) CATCA12CA1CA2CA7

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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