SCHEMBL4747291

SCHEMBL4747291

CC(CCC(=O)NCc1ccccc1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SLC1A1 P43005 1/20 0.57
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
TSHR P16473 3/20 0.54
EPHX2 P34913 2/20 0.54
HPGD P15428 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.53
POLB P06746 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL3231137 0.87 LMNA (0.62) KMT2AALDH1A1TSHRHPGDHTT
SCHEMBL6432230 0.84 HPGD (0.60) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4788083 0.84 HPGD (0.60) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL19176882 0.84 GAA (0.66) GAAMEN1KMT2ASLC1A1ALDH1A1
SCHEMBL14381160 0.83 SLC1A1 (0.66) GAAMEN1KMT2ASLC1A1ALDH1A1
SCHEMBL4380575 0.83 GAA (0.60) GAAMEN1KMT2ASLC1A1ALDH1A1
SCHEMBL3237580 0.82 HTR1A (0.48) ALDH1A1L3MBTL1EPHX2HPGDLMNA
SCHEMBL7293964 0.82 GAA (0.58) GAAMEN1KMT2ASLC1A1ALDH1A1
SCHEMBL557056 0.81 SLC1A1 (0.67) GAAMEN1KMT2ASLC1A1ALDH1A1
Acetic Acid SCHEMBL29349865 0.80 SLC1A1 (0.62) GAAMEN1KMT2ASLC1A1ALDH1A1

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
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed