SCHEMBL6803047

SCHEMBL6803047

CCCCCC(=O)C([C]=O)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HLCS P50747 6/20 0.62
TDP1 Q9NUW8 6/20 0.56
MEN1 O00255 1/20 0.56
ABL1 P00519 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
IDE P14735 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
RIN1 Q13671 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CNR1 P21554 2/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
CNR2 P34972 2/20 0.42

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
SCHEMBL6579658 0.87 TDP1 (0.59) HLCSTDP1MEN1ABL1LMNA
SCHEMBL15020036 0.85 HLCS (0.65) HLCSTDP1MEN1ABL1LMNA
SCHEMBL7122397 0.83 TDP1 (0.61) HLCSTDP1MEN1ABL1LMNA
SCHEMBL2479213 0.83 HLCS (0.73) HLCSTDP1MEN1ABL1LMNA
SCHEMBL24474061 0.81 HLCS (0.67) HLCSTDP1MEN1ABL1LMNA
SCHEMBL25724512 0.81 HLCS (0.66) HLCSTDP1MEN1ABL1LMNA
SCHEMBL9841668 0.81 HLCS (0.65) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21549581 0.80 HLCS (0.64) HLCSTDP1MEN1ABL1LMNA
SCHEMBL17830117 0.79 HLCS (0.82) HLCSTDP1MEN1ABL1LMNA
Biotin SCHEMBL6033491 0.79 TDP1 (0.87) HLCSTDP1MEN1ABL1LMNA

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-20040063624-A1 Method of inhibiting the transition of free HIV virus through the cllular mucosal barrier KAGE ANDREAS (DE) 2004-04-01 US disclosed