SCHEMBL20192113

SCHEMBL20192113

CC(C)NC(=O)COCC(=O)NCNC(=O)COCC(=O)NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FAAH O00519 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL13164724 0.89 LMNA (0.46) LMNAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL21350416 0.86 MEN1 (0.41) LMNAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL13184561 0.81 LMNA (0.41) LMNAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL11978610 0.81 LMNA (0.41) LMNAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL14458150 0.81 MAPK1 (0.44) LMNAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL24642948 0.81 LMNA (0.41) LMNAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL24212836 0.80 LMNA (0.43) LMNAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL13373655 0.79 LMNA (0.40) LMNAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL8404981 0.78 GAA (0.46) LMNAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL19662091 0.78 MMP1 (0.42) LMNAL3MBTL1MAPK1MEN1KMT2A

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-9981043-B2 Analgesic conjugates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-05-29 US disclosed