SCHEMBL5499890

SCHEMBL5499890

N=C(N)NCCCCNC(=O)N(CCc1ccccc1)C(=O)CC1(CC(=O)O)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SPHK1 Q9NYA1 4/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
LPAR1 Q92633 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
EPHX2 P34913 1/20 0.34
EPHX1 P07099 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5498618 0.86 TMEM97 (0.39) GAAALDH1A1LPAR1
SCHEMBL5499900 0.85 GAA (0.39) GAAALDH1A1USP2HPGDLPAR1
SCHEMBL5494954 0.81 LMNA (0.45) GAAHPGDLMNATSHR
SCHEMBL5495837 0.76 POLB (0.41) GAAALDH1A1HPGDLMNACYP2C19
SCHEMBL5501523 0.74 POLB (0.41) GAAALDH1A1HPGDLMNATSHR
SCHEMBL5158077 0.72 ALDH1A1 (0.48) GAAALDH1A1USP2HPGDTSHR
SCHEMBL5489864 0.72 CHRNA1 (0.48)
SCHEMBL5493574 0.72 CHRNA1 (0.47) ALDH1A1USP2HPGD
SCHEMBL8089921 0.71 MMP8 (0.48) SPHK1EPHX2EPHX1CYP3A4CYP2C19
SCHEMBL8083610 0.71 MMP8 (0.54) GAASPHK1HPGDEPHX2EPHX1

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