SCHEMBL24919988

SCHEMBL24919988

CC(=O)C(=O)CCCNC(=N)N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.45
ALOX15 P16050 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
PLA2G4A P47712 1/20 0.36
PAOX Q6QHF9 3/20 0.35
ADRA1A P35348 1/20 0.34
ALB P02768 1/20 0.33
SPHK1 Q9NYA1 3/20 0.33
PLA2G2A P14555 1/20 0.33
TSHR P16473 1/20 0.31
CASP2 P42575 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
SCHEMBL10820407 0.83 ALOX15 (0.43) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL261608 0.82 ALOX15 (0.42) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
Tiformin SCHEMBL828055 0.81 ALOX15 (0.47) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL12825069 0.79 ALOX15 (0.41) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
Tiformin SCHEMBL9772228 0.79 ALOX15 (0.46) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL10287837 0.78 PAOX (0.50) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL9809324 0.78 ALOX15 (0.42) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
Acetic Acid SCHEMBL5691675 0.77 MEN1 (0.53) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL33717 0.77 PRMT1 (0.50) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL14598288 0.77 KDM4E (0.65) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2

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-2023001982-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION UNIVERSITÄT BASEL (CH) 2023-01-26 WO disclosed