SCHEMBL14617992

SCHEMBL14617992

COC(=O)CCCC[C@@H]1SCC2[C@@H]1NC(=O)N2C(=O)CCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.57
PPARG P37231 2/20 0.43
NR2E3 Q9Y5X4 2/20 0.43
NCOR2 Q9Y618 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
IDE P14735 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
RIN1 Q13671 1/20 0.39
GAA P10253 1/20 0.36
HPSE Q9Y251 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HLCS P50747 3/20 0.33
KAT2B Q92831 2/20 0.33

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
SCHEMBL4970908 0.82 TDP1 (0.62) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL31297012 0.78 TDP1 (0.52) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL12922366 0.77 TDP1 (0.41) TDP1L3MBTL1MEN1ABL1LMNA
SCHEMBL381481 0.75 TDP1 (0.51) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL21493643 0.74 TDP1 (0.52) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL3423752 0.73 TDP1 (0.58) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL565879 0.72 TDP1 (1.00) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL21488759 0.72 TDP1 (1.00) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL20844951 0.72 TDP1 (1.00) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL10171691 0.72 TDP1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7172877-B2 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-02-06 US disclosed