SCHEMBL30116554

SCHEMBL30116554

NCCC[C@@](F)(C(=O)O)N(F)C(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 0.50
LMNA P02545 2/20 0.49
BLM P54132 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
PMP22 Q01453 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GABRR3 A8MPY1 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
HDAC3 O15379 1/20 0.31
GABBR2 O75899 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRR1 P24046 1/20 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
SCHEMBL7940896 0.79 ODC1 (0.44) ODC1LMNABLMKDM4EMAPT
SCHEMBL29001334 0.78 ODC1 (0.43) ODC1LMNABLMKDM4EMAPT
SCHEMBL6151309 0.77 ODC1 (0.41) ODC1LMNABLMKDM4EMAPT
SCHEMBL6151308 0.77 ODC1 (0.41) ODC1LMNABLMKDM4EMAPT
SCHEMBL1249526 0.74 ODC1 (0.40) ODC1LMNABLMKDM4EMAPT
SCHEMBL5069038 0.72 CHRM2 (0.40) ODC1LMNABLMKDM4EMAPT
SCHEMBL28113559 0.69 ODC1 (0.54) ODC1LMNABLMKDM4EMAPT
Eflornithine, (S)- SCHEMBL60698 0.67 ODC1 (1.00) ODC1LMNABLMKDM4EMAPT
D-Eflornithine SCHEMBL60699 0.67 ODC1 (1.00) ODC1LMNABLMKDM4EMAPT
Eflornithine SCHEMBL8581344 0.67 ODC1 (1.00) ODC1LMNABLMKDM4EMAPT

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
WO-2022245186-A1 ANTIBODY-DRUG CONJUGATE THAT BINDS TO ROR1 AND B7-H3, AND USE THEREOF 주식회사 레고켐바이오사이언스 2022-11-24 WO claimed