SCHEMBL21742006

SCHEMBL21742006

CCC(O)(CC(C)C)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRM3 P20309 1/20 0.37
ALOX15 P16050 2/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
PGR P06401 1/20 0.36
THRB P10828 1/20 0.36
ADRB3 P13945 1/20 0.36
OPRK1 P41145 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE3A Q14432 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AHR P35869 2/20 0.36
KDM4E B2RXH2 4/20 0.36

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
SCHEMBL8341741 0.86 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1CHRM3ALOX15BLM
SCHEMBL17586597 0.79 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1CHRM3ALOX15SLC22A2
SCHEMBL22420949 0.78 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM3ALOX15SLC22A2
SCHEMBL12705289 0.78 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CHRM3ALOX15SLC22A2
SCHEMBL21742119 0.77 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1CHRM3ALOX15SLC22A2
SCHEMBL21742285 0.77 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1CHRM3ALOX15SLC22A2
SCHEMBL21742085 0.77 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM3ALOX15AHR
SCHEMBL21742045 0.75 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CHRM3OPRK1TSHR
SCHEMBL21742374 0.75 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CHRM3ALOX15SLC22A2
SCHEMBL5929588 0.75 L3MBTL1 (0.47) SMN1; SMN2L3MBTL1ALOX15SLC22A2SLC22A1

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-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed