SCHEMBL21742267

SCHEMBL21742267

COC(C)(c1ccccn1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AHR P35869 2/20 0.39
CHRM2 P08172 1/20 0.39
BLM P54132 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
PGR P06401 1/20 0.33
THRB P10828 1/20 0.33
ADRB3 P13945 1/20 0.33
OPRK1 P41145 1/20 0.33
PMP22 Q01453 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE3A Q14432 1/20 0.33
SLC47A1 Q96FL8 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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
SCHEMBL21742278 0.82 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL21742089 0.81 CHRM2 (0.42) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL21742049 0.80 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL20279351 0.77 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL22261763 0.77 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL22863374 0.76 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL12934595 0.76 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL20809866 0.76 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2BLM
SCHEMBL2018258 0.76 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2BLM
Ammonia Solution, Strong SCHEMBL27641252 0.76 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2BLM

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