SCHEMBL4770129

SCHEMBL4770129

CC(C)C[CH]C(=O)N(C(=O)Nc1ccccc1F)[C@H]1CCCNCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
NPC1 O15118 2/20 0.36
FUCA1 P04066 1/20 0.35
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
CXCR2 P25025 2/20 0.33
CX3CR1 P49238 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
SCHEMBL4762985 0.91 DDB1 (0.34) LMNAHPGDDDB1CRBNNPC1
SCHEMBL7037396 0.83 NPC1 (0.39) LMNAHPGDDDB1CRBNNPC1
SCHEMBL4770136 0.81 HPGD (0.36) LMNAHPGDDDB1CRBNNPC1
SCHEMBL4761934 0.80 HPGD (0.36) LMNAHPGDDDB1CRBNNPC1
SCHEMBL7424129 0.75
SCHEMBL6605727 0.74 NPC1 (0.37) LMNANPC1KMT2AMEN1ALDH1A1
SCHEMBL4765540 0.74 NPC1 (0.37) NPC1ALDH1A1
SCHEMBL4766646 0.74 CTSK (0.45) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL4763005 0.73 TAS1R3 (0.48) NPC1
SCHEMBL4768735 0.72 CTSK (0.36) NPC1RAB9AALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed