SCHEMBL22239388

SCHEMBL22239388

CC(C)C(NC(=O)OCCOCCN1C(=O)C=CC1=O)C(=O)NCC(=O)Nc1ccc(COC=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CTSL P07711 2/20 0.32
▸ CTSB P07858 2/20 0.32
▸ CTSK P43235 2/20 0.32
▸ HTT P42858 1/20 0.31
▸ CASP3 P42574 2/20 0.31
▸ CTSD P07339 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ CASP9 P55211 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ CASP8 Q14790 1/20 0.31
▸ CTSS P25774 2/20 0.31

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
SCHEMBL19706578 0.91 MGLL (0.33) LMNAMGLLHPGDTERT
SCHEMBL19647083 0.83 KMT2A (0.36) LMNAKMT2AHPGD
SCHEMBL21416506 0.83 KMT2A (0.36) LMNAKMT2AHPGD
SCHEMBL19703231 0.81 TERT (0.32) CA2CA5ALMNAHPGDTERT
SCHEMBL20196463 0.80 APC (0.30) LMNAMEN1KMT2A
SCHEMBL21841758 0.80 ELANE (0.32) CA2CA5ALMNAMEN1KMT2A
SCHEMBL21297090 0.80 MGLL (0.36) LMNAMEN1KMT2AMGLLHPGD
SCHEMBL25776325 0.80 MGLL (0.36) LMNAMEN1KMT2AMGLLHPGD
SCHEMBL25563513 0.80 KMT2A (0.36) LMNAMEN1KMT2AMGLLHPGD
SCHEMBL24344744 0.79 CA2 (0.36) CA2CA5ALMNAMEN1KMT2A

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
EP-3525826-B1 NON-LINEAR SELF-IMMOLATIVE LINKERS AND CONJUGATES THEREOF BYONDIS BV (NL) 2020-07-22 — — EP disclosed
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