SCHEMBL4527640

SCHEMBL4527640

CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCCCCCCCCCCO

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
GAA P10253 2/20 0.47
CYP3A4 P08684 1/20 0.46
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43
ACHE P22303 6/20 0.41

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
SCHEMBL31225932 0.93 TDP1 (0.63) TDP1GAACYP3A4CA1CA2
SCHEMBL31226174 0.93 TDP1 (0.63) TDP1GAACYP3A4CA1CA2
SCHEMBL31251932 0.90 TDP1 (0.81) TDP1GAACYP3A4CA1CA2
SCHEMBL18484173 0.90 TSHR (0.53) TDP1GAACYP3A4CA1CA2
SCHEMBL7199968 0.90 TDP1 (0.76) TDP1GAACYP3A4CA1CA2
SCHEMBL25835454 0.89 TDP1 (0.61) TDP1GAACYP3A4CA1CA2
SCHEMBL17162055 0.89 TDP1 (0.78) TDP1GAACA1CA2CA12
SCHEMBL4415666 0.89 TDP1 (0.73) TDP1GAACYP3A4CA1CA2
SCHEMBL29091668 0.89 TDP1 (0.73) TDP1GAACYP3A4CA1CA2
SCHEMBL31225835 0.88 TDP1 (0.68) TDP1GAACYP3A4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507764-B2 Amphiphilic [5:1]- and [3:3]- hexakisadducts of fullerenes TEGO BIOSCIENCES CORPORATION (US) 2009-03-24 US disclosed
US-20050143327-A1 Amphiphilic [5:1]- and [3:3]- hexakisadducts of fullerenes LUNA LABS USA, LLC 2005-06-30 US disclosed
WO-2005037711-A1 AMPHIPHILIC [5:1]- AND [3:3]- HEXAKISADDUCTS OF FULLERENES C SIXTY INC. (US) 2005-04-28 WO disclosed