SCHEMBL5548664

SCHEMBL5548664

CC[C@H](C)[C@@H](CNC(=O)c1ccc(C)cc1)NC(=O)C(NC(=O)OC)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
CTSD P07339 1/20 0.37
CA2 P00918 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CA1 P00915 1/20 0.37
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5661338 1.00 L3MBTL1 (0.42) L3MBTL1HTTMEN1KMT2ALMNA
SCHEMBL5548668 1.00 L3MBTL1 (0.42) L3MBTL1HTTMEN1KMT2ALMNA
SCHEMBL5661441 0.82 KMT2A (0.40) HTTMEN1KMT2ALMNAHPGD
SCHEMBL5661449 0.82 KMT2A (0.40) HTTMEN1KMT2ALMNAHPGD
SCHEMBL5551391 0.82 KMT2A (0.40) HTTMEN1KMT2ALMNAHPGD
SCHEMBL5551396 0.81 HTT (0.42) L3MBTL1HTTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL5662337 0.81 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL5662341 0.81 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL5552093 0.81 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ALMNAALDH1A1
SCHEMBL5660707 0.77 ALDH1A1 (0.48) L3MBTL1MEN1KMT2ALMNAALDH1A1

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-1770085-A1 DIAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT Mitsui Chemicals, Inc. (JP) 2007-04-04 EP disclosed