SCHEMBL7710571

SCHEMBL7710571

CCCC(=O)N(CCCCCCCCCCCCCCCCCCCCCCCC(N)=O)N1C(=O)C=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
SOAT1 P35610 2/20 0.36
FAAH O00519 2/20 0.35
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS1 P23219 7/20 0.33
PTGS2 P35354 7/20 0.33
HTR7 P34969 4/20 0.33
MGLL Q99685 2/20 0.33
ABHD16A O95870 1/20 0.31

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
SCHEMBL16500059 0.78 PTGS1 (0.47) MEN1KMT2APTGS1PTGS2
SCHEMBL31525221 0.71 AKR1B1 (0.40) MEN1KMT2APTGS1PTGS2MGLL
SCHEMBL31525220 0.71 AKR1B1 (0.40) MEN1KMT2APTGS1PTGS2MGLL
Hydrochloric Acid SCHEMBL28493006 0.70 GSK3A (0.36) FAAHTP53CYP1A2CYP2C19PTGS1
SCHEMBL3694475 0.69 PTGS1 (0.36) KDM4EFAAHMEN1KMT2APTGS1
SCHEMBL20480820 0.68 PTGS1 (0.41) FAAHPTGS1PTGS2MGLL
SCHEMBL28760071 0.68 PTGS1 (0.43) KDM4ESOAT1FAAHTP53MEN1
SCHEMBL5881215 0.68 MGLL (0.52) FAAHTP53PTGS1PTGS2MGLL
SCHEMBL25363067 0.65 MGLL (0.48) FAAHTP53PTGS1PTGS2MGLL
SCHEMBL19817136 0.64 PTGS1 (0.72) FAAHTP53PTGS1PTGS2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204428-A2 TARGETED LIPID PARTICLES Celltech R&D Limited (GB) 2002-05-15 EP disclosed
WO-2001012154-A2 TARGETED LIPID PARTICLES CELLTECH R&D LIMITED (GB) 2001-02-22 WO disclosed