SCHEMBL8386394

SCHEMBL8386394

COCCOCCNC(=O)CC(C)(C)CNC(=O)CC(C)CCC(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 2/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
MAPK1 P28482 1/20 0.34
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
KMT2A Q03164 1/20 0.33
EPOR P19235 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8383952 0.85 HPGD (0.36) HPGDALDH1A1KMT2A
SCHEMBL8389354 0.77 HPGD (0.34) HPGDALDH1A1KMT2A
SCHEMBL8519689 0.74 HPGD (0.41) LMNAHPGDALDH1A1KDM4ECYP3A4
SCHEMBL18594580 0.69 SMN1; SMN2 (0.83) SMN1; SMN2LMNAALDH1A1HTTKMT2A
SCHEMBL29336444 0.69 LMNA (0.54) SMN1; SMN2LMNAALDH1A1KDM4ECYP3A4
SCHEMBL9470496 0.68 ALDH1A1 (0.53) SMN1; SMN2LMNAHPGDALDH1A1KDM4E
SCHEMBL15784537 0.67 LMNA (0.54) SMN1; SMN2LMNAHPGDKDM4EHTT
SCHEMBL29467688 0.67 LMNA (0.49) SMN1; SMN2LMNA
SCHEMBL29467642 0.67 LMNA (0.54) SMN1; SMN2LMNAALDH1A1CYP3A4MAPK1
SCHEMBL20151955 0.67 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHPGDKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793641-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-04-21 EP disclosed
US-5866717-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-02-02 US disclosed
EP-0793641-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-09-10 EP disclosed
WO-1996016931-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-06-06 WO disclosed