SCHEMBL4740139

SCHEMBL4740139

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.60
MEN1 O00255 1/20 0.60
ABL1 P00519 1/20 0.60
LMNA P02545 1/20 0.60
PKM P14618 1/20 0.60
IDE P14735 1/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 1/20 0.60
RIN1 Q13671 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HLCS P50747 6/20 0.55
CA12 O43570 6/20 0.45
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA9 Q16790 6/20 0.45
FOLH1 Q04609 1/20 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
SCHEMBL1527196 0.99 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL4454446 0.99 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL425273 0.94 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL30799994 0.89 HLCS (0.57) TDP1MEN1ABL1LMNAPKM
SCHEMBL5611457 0.88 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
Cysteine SCHEMBL8645728 0.88 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL29521761 0.87 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL4466074 0.87 HLCS (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL1403829 0.87 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL29748989 0.86 TDP1 (0.57) TDP1MEN1ABL1LMNAPKM

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-2008089487-A2 CARBOXYETHYLPYRROLE COMPOUNDS AND METHODS OF THEIR PRODUCTION THE CLEVELAND CLINIC FOUNDATION (US) 2008-07-24 WO disclosed
WO-2008089485-A2 CARBOXYETHYLPYRROLE COMPOUNDS AND METHODS OF THEIR PRODUCTION THE CLEVELAND CLINIC FOUNDATION (US) 2008-07-24 WO disclosed