SCHEMBL18007448

SCHEMBL18007448

CCN(CC)C(=O)[C@@H]1C[C@@H](OC(=O)/C=C/C(=O)OC)CN1C(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CTSK P43235 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ABCB1 P08183 2/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ APP P05067 1/20 0.33

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
SCHEMBL18007443 0.89 MMP2 (0.36) MEN1KMT2ACTSKPIK3CDTSHR
SCHEMBL18007455 0.89 NAMPT (0.35) MEN1KMT2ACTSKPIK3CDTSHR
SCHEMBL18007451 0.89 PIK3CD (0.39) MEN1KMT2ACTSKPIK3CDTSHR
SCHEMBL18009292 0.86 PIK3CD (0.41) KMT2ACTSKPIK3CDTSHRRECQL
SCHEMBL18009294 0.85 MMP2 (0.46) MEN1KMT2ACTSKPIK3CDTSHR
SCHEMBL18009283 0.84 ALDH1A1 (0.40) MEN1KMT2APIK3CDTSHRRECQL
SCHEMBL18009461 0.84 PIK3CD (0.40) MEN1KMT2ACTSKPIK3CDTSHR
SCHEMBL18009464 0.82 MMP2 (0.35) —
SCHEMBL18007433 0.82 MMP2 (0.35) —
SCHEMBL18009300 0.80 PIK3CD (0.42) MEN1KMT2ACTSKPIK3CDTSHR

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-2016127186-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-08-11 — — WO disclosed
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