SCHEMBL31378083

SCHEMBL31378083

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ ABL1 P00519 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ PKM P14618 1/20 0.63
▸ IDE P14735 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ RIN1 Q13671 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ HLCS P50747 3/20 0.54
▸ CAPN1 P07384 2/20 0.53
▸ CA12 O43570 5/20 0.52
▸ CA1 P00915 5/20 0.52
▸ CA2 P00918 5/20 0.52
▸ CA9 Q16790 5/20 0.52
▸ FOLH1 Q04609 2/20 0.51
▸ CNR1 P21554 2/20 0.49

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
SCHEMBL31378071 0.93 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378070 0.91 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378069 0.90 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378129 0.89 TDP1 (0.66) TDP1MEN1ABL1LMNAPKM
SCHEMBL19901346 0.88 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL21524656 0.88 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL12724896 0.88 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL8146132 0.85 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL29802482 0.85 TDP1 (0.53) TDP1MEN1ABL1LMNAPKM
SCHEMBL29946177 0.85 TDP1 (0.53) 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
CN-119470877-A Biotinylation modified amino acid probe, preparation method and application thereof, and method and application for identifying amino acid binding protein 同济大学 2025-02-18 — — CN disclosed
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