SCHEMBL21737181

SCHEMBL21737181

COc1cc(F)c(C(C)C)c(F)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
TUBB1 Q9H4B7 3/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
ACHE P22303 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
CYP3A4 P08684 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL24594988 0.79 GAA (0.33) PDE3BPDE3ATUBB1POLBGAA
SCHEMBL9945896 0.77
SCHEMBL8885005 0.77 TUBB1 (0.41) TUBB1ACHECYP3A4LMNAMAPK1
SCHEMBL16133970 0.74 PDE3B (0.43) PDE3BPDE3APOLBGAAGFER
SCHEMBL20226996 0.74 ACHE (0.45) PDE3BPDE3ATUBB1POLBGAA
SCHEMBL27765600 0.74 ALDH1A1 (0.38) TUBB1POLBGAAACHECYP3A4
SCHEMBL16133964 0.73 PDE3B (0.38) PDE3BPDE3ATUBB1POLBGAA
SCHEMBL13711373 0.72 TUBB1 (0.38) TUBB1POLBLMNAMAPK1HTT
SCHEMBL13913528 0.72 PDE3B (0.35) PDE3BPDE3ATUBB1POLBGAA
SCHEMBL27765697 0.72 TUBB1 (0.36) PDE3BPDE3ATUBB1POLBACHE

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-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed