SCHEMBL23314765

SCHEMBL23314765

CNC(=O)CNC(=O)CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
CA14 Q9ULX7 1/20 0.35
BUB1 O43683 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
GAA P10253 1/20 0.32
PDK2 Q15119 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
SCHEMBL9354292 0.82 GAA (0.54) RECQLCA14HDAC6HDAC1HDAC2
SCHEMBL755177 0.80 CA14 (0.35) RECQLCA14BUB1HDAC6HDAC1
SCHEMBL15285839 0.78 CTSD (0.39) CA14BUB1HDAC6HDAC1HDAC2
SCHEMBL381146 0.77 HDAC6 (0.39) CA14BUB1HDAC6HDAC1HDAC2
SCHEMBL19493237 0.77 MAOA (0.40) CA14HDAC6HDAC1HDAC2FPR3
SCHEMBL23616307 0.76 DNM1 (0.43) CA14HDAC6HDAC1HDAC2
Succinic Acid SCHEMBL28315096 0.75 PHF8 (0.39) CA14BUB1HDAC6HDAC1HDAC2
SCHEMBL1105464 0.75 HDAC6 (0.34) CA14BUB1HDAC6HDAC1HDAC2
SCHEMBL10260946 0.74 HDAC6 (0.40) CA14HDAC6HDAC1HDAC2FPR3
SCHEMBL31035920 0.74 DNM1 (0.44) CA14FPR3FPR2

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-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 EP disclosed