SCHEMBL7706732

SCHEMBL7706732

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTPN7 P35236 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.31
APEX1 P27695 1/20 0.31
CXCL8 P10145 1/20 0.30
AKR1B1 P15121 1/20 0.30
PTGS1 P23219 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
SCHEMBL7706913 0.81 NAMPT (0.38) NAMPTKDM4EMEN1POLBMAPT
SCHEMBL7706728 0.81 NAMPT (0.41) NAMPTKDM4EMEN1POLBMAPT
SCHEMBL1663159 0.74 NAMPT (0.44) NAMPTKDM4EMEN1POLBMAPT
SCHEMBL9336190 0.72 NAMPT (0.45) NAMPTKDM4EMEN1POLBMAPT
SCHEMBL7712512 0.71 NAMPT (0.35) NAMPT
SCHEMBL12748885 0.66 NPC1 (0.47) NAMPTKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL13851546 0.66 NAMPT (0.41) NAMPTKDM4EMEN1POLBMAPT
SCHEMBL6735445 0.66 TP53 (0.53) RECQLALDH1A1
SCHEMBL8531872 0.65 LMNA (0.51) KDM4EMAPTKMT2ATDP1HSD17B10
SCHEMBL6403050 0.65 LMNA (0.51) KDM4EMAPTKMT2ATDP1HSD17B10

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
US-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed