SCHEMBL6006803

SCHEMBL6006803

CCCCCCCCCCCCC(O)(C(N)CC)C(O)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.41
MAPT P10636 4/20 0.41
SPHK1 Q9NYA1 4/20 0.41
LMNA P02545 4/20 0.41
GMNN O75496 3/20 0.41
POLB P06746 3/20 0.41
BLM P54132 3/20 0.41
CETP P11597 3/20 0.41
UBE2N P61088 3/20 0.41
THPO P40225 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
MTOR P42345 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GLA P06280 2/20 0.36
THRB P10828 2/20 0.36

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
SCHEMBL10910541 0.85 LMNA (0.41) CYP2D6MAPTSPHK1LMNAGMNN
SCHEMBL29199484 0.77 CYP2D6 (0.38) CYP2D6MAPTSPHK1LMNAGMNN
SCHEMBL31738650 0.77 CYP2D6 (0.38) CYP2D6MAPTSPHK1LMNAGMNN
SCHEMBL9239808 0.74 CYP2D6 (0.33) CYP2D6MAPTSPHK1LMNAGMNN
SCHEMBL18863212 0.74 LMNA (0.41) CYP2D6MAPTSPHK1LMNAGMNN
SCHEMBL25815 0.74 LMNA (0.41) CYP2D6MAPTSPHK1LMNAGMNN
SCHEMBL5963212 0.74 LMNA (0.41) CYP2D6MAPTSPHK1LMNAGMNN
SCHEMBL142854 0.74 LMNA (0.41) CYP2D6MAPTSPHK1LMNAGMNN
SCHEMBL139952 0.74 LMNA (0.41) CYP2D6MAPTSPHK1LMNAGMNN
SCHEMBL2226505 0.74 LMNA (0.41) CYP2D6MAPTSPHK1LMNAGMNN

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-1647267-A1 Cosmetic, dermatological and pharmaceutical compositions Clariant Produkte (Deutschland) GmbH (DE) 2006-04-19 EP disclosed
EP-0912164-B1 STARCHY CLEANING AND COSMETIC CARE PREPARATIONS NAT STARCH CHEM INVEST (US) 2002-02-06 EP disclosed
EP-0986369-A1 SURFACTANT COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2000-03-22 EP disclosed
WO-1998055088-A1 SURFACTANT COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-12-10 WO disclosed