SCHEMBL7577396

SCHEMBL7577396

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ ABL1 P00519 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ IDE P14735 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ RIN1 Q13671 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ FOLH1 Q04609 9/20 0.62
▸ CASP3 P42574 2/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ CASP2 P42575 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ CASP8 Q14790 1/20 0.52
▸ PLG P00747 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ PRSS2 P07478 1/20 0.48
▸ PRSS3 P35030 1/20 0.48

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
SCHEMBL31378057 0.94 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL31248180 0.94 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378143 0.92 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL5406043 0.92 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378060 0.86 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL2458624 0.85 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL10140261 0.85 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL5817718 0.84 HLCS (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL739034 0.84 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL5804916 0.84 TDP1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020042084-A1 Detection of NAALADase inhibitors BOEHRINGER INGELHEIM PHARMA KG 2002-04-11 — — US claimed
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