SCHEMBL19683053

SCHEMBL19683053

CCCCCC(=O)NC(C)Cc1ccc(OC(=O)CN(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 14/20 0.56
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL23974228 0.87 ITGB3 (0.53) ACACBITGB3ITGA2BALDH1A1
SCHEMBL19683081 0.82 ACACB (0.65) ACACBALDH1A1KMT2A
SCHEMBL24916583 0.79 ACACB (0.61) ACACBITGB3ITGA2B
SCHEMBL24276104 0.78 ACACB (0.50) ACACBITGB3ITGA2BKMT2ANPSR1
SCHEMBL24276201 0.78 ACACB (0.52) ACACBITGB3ITGA2BNPSR1L3MBTL1
SCHEMBL12059359 0.77 ACACB (0.58) ACACBITGB3ITGA2B
SCHEMBL21337036 0.76 CNR1 (0.60) ACACBALDH1A1KMT2A
SCHEMBL13963521 0.76 ITGB3 (0.68) ITGB3ITGA2BALDH1A1
SCHEMBL24276193 0.75 ITGB3 (0.53) ACACBITGB3ITGA2B
SCHEMBL19683175 0.75 ITGB3 (0.58) ACACBITGB3ITGA2BALDH1A1

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
WO-2017210489-A1 COMPOUNDS M3 BIOTECHNOLOGY, INC. (US) 2017-12-07 — — WO disclosed
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