SCHEMBL5501526

SCHEMBL5501526

CC(C)(CC(=O)O)C(=O)NC[C@H](C(=O)NCCCCNC(=N)N)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.44
NAAA Q02083 2/20 0.40
POLB P06746 1/20 0.40
CNR1 P21554 2/20 0.36
LMNA P02545 1/20 0.36
PAX8 Q06710 1/20 0.36
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
TACR3 P29371 1/20 0.35
CNR2 P34972 1/20 0.35
RIPK1 Q13546 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL5495851 0.86 KDM4A (0.43) KDM4ANAAAPOLBCNR1LMNA
SCHEMBL5494963 0.81 KDM4A (0.43) KDM4ANAAAPOLBCNR1LMNA
SCHEMBL5497841 0.81 KDM4A (0.43) KDM4ANAAAPOLBCNR1LMNA
SCHEMBL5493849 0.77 GRIA1 (0.48)
SCHEMBL17234594 0.69 BCAT2 (0.49) POLB
SCHEMBL5495822 0.68 KDM4A (0.41) KDM4ANAAAPOLB
SCHEMBL988168 0.68 NAAA (0.59) KDM4ANAAAPOLBLMNAPAX8
SCHEMBL5487144 0.67 CHRNB2 (0.55)
SCHEMBL5487146 0.67 CHRNB2 (0.55)
SCHEMBL5494078 0.67 CHRNB2 (0.55)

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