SCHEMBL9236221

SCHEMBL9236221

C=CCC(N)(CCCN)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 0.58
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ARG1 P05089 9/20 0.41
ARG2 P78540 6/20 0.41
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL10264935 0.81 ARG1 (0.39) ODC1ARG1ARG2ALDH1A1TSHR
SCHEMBL30651 0.81 ALDH1A1 (0.42) ODC1LMNAMAPTARG1ARG2
SCHEMBL10785046 0.80 ARG1 (0.44) ARG1ARG2ALDH1A1TSHRMEN1
SCHEMBL10692354 0.80 ALDH1A1 (0.36) ODC1MAPTARG1ARG2ALDH1A1
SCHEMBL895031 0.79 ARG1 (0.65) ARG1ARG2
SCHEMBL10207150 0.79 ARG1 (0.65) ARG1ARG2
SCHEMBL9458161 0.78 MEN1 (0.57) ODC1LMNAMAPTBLMARG1
SCHEMBL7993963 0.78 MEN1 (0.57) ODC1LMNAMAPTBLMARG1
Hydrochloric Acid SCHEMBL1740684 0.78 ARG1 (0.63) ARG1ARG2
SCHEMBL1976687 0.75 ODC1 (0.45) ODC1MAPTARG1ARG2ALDH1A1

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-1995011593-A1 CLEANING SOLUTION ERSSON MATS (SE) 1995-05-04 WO disclosed