SCHEMBL7706728

SCHEMBL7706728

Cc1ccc(C(=O)C(C)C)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 3/20 0.34
RECQL P46063 2/20 0.34
DBH P09172 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPN7 P35236 1/20 0.33
BLM P54132 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL7706732 0.81 NAMPT (0.37) NAMPTKDM4ERECQLMEN1POLB
SCHEMBL9336190 0.78 NAMPT (0.45) NAMPTKDM4ERECQLGAAMEN1
SCHEMBL7712512 0.77 NAMPT (0.35) NAMPT
SCHEMBL7706913 0.77 NAMPT (0.38) NAMPTKDM4ERECQLMEN1POLB
SCHEMBL7706724 0.76 NAMPT (0.44) NAMPTKDM4EMEN1POLBMAPT
SCHEMBL1663159 0.76 NAMPT (0.44) NAMPTKDM4ERECQLGAAMEN1
SCHEMBL26545861 0.73 MAPT (0.33) KDM4ERECQLDBHGAAMAPT
SCHEMBL2235453 0.72 PTGS2 (0.56) KDM4EPOLBMAPTHSD17B10ALDH1A1
SCHEMBL12748885 0.71 NPC1 (0.47) NAMPTKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL13851546 0.71 NAMPT (0.41) NAMPTKDM4EMEN1POLBMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4183783-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-24 EP disclosed
US-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed