SCHEMBL5406043

SCHEMBL5406043

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 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
▸ FOLH1 Q04609 8/20 0.54
▸ CASP3 P42574 2/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP2 P42575 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ CASP8 Q14790 1/20 0.51
▸ CAPN1 P07384 2/20 0.47
▸ MAFG O15525 1/20 0.47
▸ PLG P00747 1/20 0.46
▸ PRSS1 P07477 1/20 0.46

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
SCHEMBL2037323 0.92 TDP1 (0.51) TDP1MEN1ABL1LMNAPKM
SCHEMBL7577396 0.92 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL29946177 0.89 TDP1 (0.53) TDP1MEN1ABL1LMNAPKM
SCHEMBL29802482 0.89 TDP1 (0.53) TDP1MEN1ABL1LMNAPKM
SCHEMBL6534725 0.88 CASP3 (0.55) TDP1MEN1ABL1LMNAPKM
SCHEMBL8219653 0.86 CASP3 (0.53) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378057 0.86 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL31248180 0.86 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378143 0.86 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL30313496 0.85 CASP3 (0.47) FOLH1CASP3CASP1CASP2CASP7

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-7247438-B1 Methods of identifying agents which enhance caspase activity DANA-FARBER CANCER INSTITUTE (US) 2007-07-24 — — US disclosed
Send feedback