SCHEMBL23130177

SCHEMBL23130177

CCCC(=O)NC1Cc2ccc(Cl)c(C(=O)OCC)c2OB1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.37
▸ MTNR1A P48039 2/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ ADORA2B P29275 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PRKCZ Q05513 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL17347806 1.00 ALOX5 (0.37) ALOX5MTNR1AMTNR1BMAPTMAPK1
SCHEMBL23130166 0.92 ALOX5 (0.36) ALOX5MAPTMAPK1HTTPOLB
SCHEMBL17347832 0.92 ALOX5 (0.36) ALOX5MAPTMAPK1HTTPOLB
SCHEMBL23130037 0.89 CA12 (0.39) ALOX5MTNR1AMTNR1BMAPTLMNA
SCHEMBL17347836 0.89 CA12 (0.39) ALOX5MTNR1AMTNR1BMAPTLMNA
SCHEMBL23130232 0.89 MTNR1A (0.36) MTNR1AMTNR1BMAPK1HTTLMNA
SCHEMBL17347656 0.89 MTNR1A (0.36) MTNR1AMTNR1BMAPK1HTTLMNA
SCHEMBL17347744 0.89 ALOX5 (0.36) ALOX5MAPTMAPK1HTTPOLB
SCHEMBL23129690 0.89 ALOX5 (0.36) ALOX5MAPTMAPK1HTTPOLB
SCHEMBL17347788 0.88 MTNR1A (0.32) MTNR1AMTNR1BPOLBCA12CA1

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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