SCHEMBL23130044

SCHEMBL23130044

CCC(=O)N[C@H]1Cc2cccc(C(=O)OCOC(=O)I)c2OB1O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.34
▸ MTNR1B P49286 4/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PARP1 P09874 3/20 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
SCHEMBL23130173 0.92 MTNR1A (0.36) MTNR1AMTNR1B
SCHEMBL17337356 0.91 MTNR1A (0.37) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL17337359 0.91 MTNR1A (0.37) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL22514014 0.90 MTNR1A (0.38) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL23130045 0.90 — —
SCHEMBL17337345 0.89 KMT2A (0.36) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL17337346 0.89 KMT2A (0.36) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL17337157 0.89 PRKCB (0.34) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL18957334 0.89 TDP1 (0.36) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL17337154 0.89 PRKCB (0.34) MTNR1AMTNR1BCYP1A2ALOX15MAPT

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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