SCHEMBL22134253

SCHEMBL22134253

CNC(=O)CCC(=O)NCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
CNR1 P21554 1/20 0.47
HPGD P15428 1/20 0.47
NAMPT P43490 2/20 0.44
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
ANPEP P15144 3/20 0.42
RNPEP Q9H4A4 2/20 0.42
DNPEP Q9ULA0 2/20 0.42
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PSMB5 P28074 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7257878 0.91 ALDH1A1 (0.58) LMNAALDH1A1PKMCNR1HPGD
SCHEMBL11452609 0.85 ALDH1A1 (0.61) LMNAALDH1A1PKMCNR1HPGD
SCHEMBL13853873 0.84 NAMPT (0.49) LMNAALDH1A1PKMCNR1HPGD
SCHEMBL24648935 0.83 ALDH1A1 (0.50) LMNAALDH1A1PKMCNR1HPGD
SCHEMBL15248051 0.83 CNR1 (0.51) LMNAALDH1A1PKMCNR1HPGD
SCHEMBL7750825 0.83 ALDH1A1 (0.55) LMNAALDH1A1PKMCNR1HPGD
SCHEMBL23735527 0.82 ALDH1A1 (0.50) LMNAALDH1A1POLBGAAL3MBTL1
SCHEMBL16248549 0.82 LMNA (0.49) LMNAALDH1A1PKMCNR1HPGD
SCHEMBL16280989 0.82 ALDH1A1 (0.44) LMNAALDH1A1PKMCNR1HPGD
SCHEMBL8847608 0.81 CNR1 (0.57) LMNAALDH1A1PKMCNR1HPGD

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-3086814-B1 DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) Bayer Pharma AG (DE) 2020-06-24 EP disclosed