SCHEMBL5789780

SCHEMBL5789780

CC(CCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.51
CNR1 P21554 2/20 0.48
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 6/20 0.43
MEN1 O00255 1/20 0.43
ABL1 P00519 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
IDE P14735 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
RIN1 Q13671 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FOLH1 Q04609 2/20 0.41
CAPN1 P07384 2/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40

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
SCHEMBL244669 0.90 TDP1 (0.49) TDP1CNR1CA12CA1CA2
SCHEMBL1639628 0.89 TDP1 (0.49) TDP1CNR1CA12CA1CA2
SCHEMBL17385535 0.89 TDP1 (0.58) TDP1CA12CA1CA2CA9
SCHEMBL1979297 0.89 TDP1 (0.58) TDP1CA12CA1CA2CA9
SCHEMBL14417216 0.89 TDP1 (0.58) TDP1CA12CA1CA2CA9
SCHEMBL1549117 0.88 TDP1 (0.57) TDP1CA12CA1CA2CA9
SCHEMBL4455260 0.87 TDP1 (0.55) TDP1CNR1CA12CA1CA2
SCHEMBL12569327 0.87 TDP1 (0.55) TDP1CNR1CA12CA1CA2
SCHEMBL18780618 0.87 TDP1 (0.55) TDP1CNR1CA12CA1CA2
SCHEMBL14417100 0.87 TDP1 (0.55) TDP1CNR1CA12CA1CA2

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
WO-2006007009-A1 MAGNETIC ENZYME DETECTION TECHNIQUES KIMBERLY-CLARK WORLDWIDE, INC. (US) 2006-01-19 WO disclosed
WO-2002074324-A1 COLLAGEN-BINDING ADHESIN FROM STAPHYLOCOCCUS EPIDERMIDIS AND METHOD OF USE THE TEXAS A & M UNIVERSITY SYSTEM (US) 2002-09-26 WO disclosed