SCHEMBL4740816

SCHEMBL4740816

CC(C)(C)OC(=O)NCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.65
▸ PKM P14618 2/20 0.56
▸ PLCD1 P51178 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ LMNA P02545 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
▸ CA12 O43570 2/20 0.55
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ F2 P00734 1/20 0.55
▸ PRSS1 P07477 1/20 0.55
▸ PRSS2 P07478 1/20 0.55
▸ PRSS3 P35030 1/20 0.55
▸ TPSAB1 Q15661 1/20 0.55

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
SCHEMBL26490546 0.99 TDP1 (0.64) TDP1PKMPLCD1MEN1ABL1
SCHEMBL15482071 0.99 TDP1 (0.64) TDP1PKMPLCD1MEN1ABL1
SCHEMBL10277136 0.99 TDP1 (0.64) TDP1PKMPLCD1MEN1ABL1
SCHEMBL13049575 0.99 TDP1 (0.64) TDP1PKMPLCD1MEN1ABL1
SCHEMBL7936987 0.99 TDP1 (0.64) TDP1PKMPLCD1MEN1ABL1
SCHEMBL4904852 0.99 TDP1 (0.64) TDP1PKMPLCD1MEN1ABL1
SCHEMBL20042594 0.98 TDP1 (0.62) TDP1PKMPLCD1MEN1ABL1
SCHEMBL20711508 0.98 TDP1 (0.62) TDP1PKMPLCD1MEN1ABL1
SCHEMBL31135781 0.97 TDP1 (0.61) TDP1PKMPLCD1MEN1ABL1
SCHEMBL31135784 0.97 TDP1 (0.61) TDP1PKMPLCD1MEN1ABL1

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