SCHEMBL5497841

SCHEMBL5497841

N=C(N)NCCCCNC(=O)[C@@H](CNC(=O)CCC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.43
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NAAA Q02083 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.39
EPOR P19235 1/20 0.38
ASAH1 Q13510 1/20 0.38

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
SCHEMBL5494963 1.00 KDM4A (0.43) KDM4ALMNATSHRNAAAPOLB
SCHEMBL5495851 0.82 KDM4A (0.43) KDM4ALMNANAAAPOLBCNR1
SCHEMBL5501526 0.81 KDM4A (0.44) KDM4ALMNANAAAPOLBCNR1
SCHEMBL6443393 0.78 CTSK (0.43) KDM4APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL988168 0.78 NAAA (0.59) KDM4ALMNANAAAPOLBCYP3A4
SCHEMBL5498907 0.77 LMNA (0.43) KDM4ALMNATSHRCYP3A4CYP2D6
SCHEMBL6443377 0.76 CTSK (0.55)
SCHEMBL985564 0.76 ASAH1 (0.54) KDM4ALMNATSHRNAAAPOLB
SCHEMBL5491147 0.75 CHRNB2 (0.59)
SCHEMBL5496714 0.75 CHRNB2 (0.59)

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-1753782-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2007-02-21 EP disclosed
WO-2005123770-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed