SCHEMBL381481

SCHEMBL381481

COC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2Cc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.51
PPARG P37231 2/20 0.41
NR2E3 Q9Y5X4 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
MMP1 P03956 3/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
MMP3 P08254 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
SCHEMBL381757 0.83 TDP1 (0.42) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL23812201 0.79 TDP1 (0.47) TDP1PPARGNR2E3NCOR2CA12
SCHEMBL16478559 0.79 TDP1 (0.47) TDP1PPARGNR2E3NCOR2CA12
SCHEMBL903551 0.79 TDP1 (0.38) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL10047699 0.78 TDP1 (0.41) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL10047677 0.78 TDP1 (0.41) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL7877998 0.78 TDP1 (0.50) TDP1CA12CA1CA2CA9
SCHEMBL30894392 0.78 TDP1 (0.50) TDP1CA12CA1CA2CA9
SCHEMBL4970908 0.78 TDP1 (0.62) TDP1PPARGNR2E3NCOR2CA12
SCHEMBL14617992 0.75 TDP1 (0.57) TDP1PPARGNR2E3NCOR2L3MBTL1

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-2408783-A2 BIOMOLECULAR LABELLING USING MULTIFUNCTIONAL BIOTIN ANALOGUES University Of Nottingham (GB) 2012-01-25 EP disclosed
WO-2010106347-A2 BIOMOLECULAR LABELLING USING MULTIFUNCTIONAL BIOTIN ANALOGUES UNIVERSITY OF NOTTINGHAM (GB) 2010-09-23 WO disclosed