SCHEMBL24891725

SCHEMBL24891725

CC(C)(C)OC(=O)NCc1ccc(NC(=O)[C@H]2CC[C@@H](C=O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.52
FPR3 P25089 2/20 0.52
FPR2 P25090 2/20 0.52
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GLA P06280 3/20 0.43
RAB9A P51151 1/20 0.42
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL23899184 0.92 NAMPT (0.59) NAMPTFPR3FPR2KMT2ALMNA
SCHEMBL30182404 0.92 NAMPT (0.59) NAMPTFPR3FPR2KMT2ALMNA
SCHEMBL30182518 0.92 NAMPT (0.59) NAMPTFPR3FPR2KMT2ALMNA
SCHEMBL23899088 0.82 NAMPT (0.53) NAMPTFPR3FPR2KMT2ALMNA
SCHEMBL2584476 0.82 ALDH1A1 (0.53) NAMPTFPR3FPR2LMNARAB9A
SCHEMBL2579030 0.79 NAMPT (0.58) NAMPTFPR3FPR2KMT2AMEN1
SCHEMBL2579027 0.79 NAMPT (0.58) NAMPTFPR3FPR2KMT2AMEN1
SCHEMBL24891649 0.78 PTPN2 (0.47) NAMPTFPR3FPR2KMT2ALMNA
SCHEMBL30182272 0.78 PTPN2 (0.47) NAMPTFPR3FPR2KMT2ALMNA
SCHEMBL23898940 0.78 PTPN1 (0.62) NAMPTKMT2ALMNAMEN1PTPN2

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-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO disclosed