SCHEMBL6467927

SCHEMBL6467927

CC(CCNC(=O)O)CC(=O)NCCC(C(=O)c1nc(C(=O)NCc2ccco2)co1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
HPGD P15428 5/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 7/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
MAPT P10636 5/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 2/20 0.40
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK8 P45983 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7049297 0.89 HPGD (0.40) GAAHPGDLMNAALDH1A1NPSR1
SCHEMBL7567547 0.87 ALDH1A1 (0.35) HPGDLMNAALDH1A1NPSR1MAPT
SCHEMBL6461819 0.81 P2RX7 (0.39) ALDH1A1KMT2AMEN1
SCHEMBL6467203 0.81 SMN1; SMN2 (0.35) HPGDLMNAALDH1A1NPSR1MAPT
SCHEMBL7049037 0.78 KCNA5 (0.39) GAALMNAALDH1A1MAPTPOLB
SCHEMBL7047980 0.77 TBXA2R (0.37) LMNAALDH1A1NPSR1MAPTKMT2A
SCHEMBL7046299 0.77 L3MBTL1 (0.44) HPGDLMNAALDH1A1RAB9AKMT2A
SCHEMBL7045334 0.77 CYP1A2 (0.42) ALDH1A1MAPTRAB9AKMT2APOLB
SCHEMBL7044845 0.77 KCNA5 (0.39) HPGDLMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL7186575 0.76 CACNA1H (0.37) HPGDLMNAALDH1A1MAPTRAB9A

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed