SCHEMBL7706913

SCHEMBL7706913

COC(=O)C(C)C(C)C(=O)c1ccc(C)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 3/20 0.33
MT-CO2 P00403 1/20 0.32
MYC P01106 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
CYP26A1 O43174 2/20 0.30
KDM4E B2RXH2 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 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
SCHEMBL7706732 0.81 NAMPT (0.37) NAMPTALDH1A1MAPTPOLBKMT2A
SCHEMBL7706728 0.77 NAMPT (0.41) NAMPTALDH1A1MAPTPOLBKMT2A
SCHEMBL12748885 0.73 NPC1 (0.47) NAMPTALDH1A1SMN1; SMN2MYCTSHR
SCHEMBL9336190 0.68 NAMPT (0.45) NAMPTALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL7712512 0.68 NAMPT (0.35) NAMPT
SCHEMBL13946795 0.67 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL784551 0.67 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL8002346 0.67 HPGD (0.50) ALDH1A1MAPTPOLBSMN1; SMN2HTT
SCHEMBL1663159 0.67 NAMPT (0.44) NAMPTALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL11488582 0.66 ALDH1A1 (0.41) ALDH1A1MAPTPOLBSMN1; SMN2HTT

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