SCHEMBL11228700

SCHEMBL11228700

CC(=O)OC(c1cccnc1)C(Cl)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42
POLB P06746 1/20 0.42
CYP19A1 P11511 3/20 0.41
CYP17A1 P05093 2/20 0.41
GAA P10253 1/20 0.41
TBXAS1 P24557 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDE4D Q08499 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PLA2G7 Q13093 1/20 0.39
MGLL Q99685 1/20 0.39
ABHD6 Q9BV23 1/20 0.39

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
SCHEMBL11241260 0.84 LMNA (0.43) ALDH1A1HTTLMNACYP19A1CYP17A1
SCHEMBL11244521 0.84 POLB (0.39) ALDH1A1HTTCYP3A4CYP3A5POLB
SCHEMBL11236544 0.82 KCNA5 (0.43) ALDH1A1LMNACYP19A1CYP17A1SMN1; SMN2
SCHEMBL11248372 0.81 PLOD2 (0.44) ALDH1A1HTTLMNACYP3A4GAA
SCHEMBL11242002 0.81 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1CYP3A4SMN1; SMN2
SCHEMBL111839 0.80 CYP3A4 (0.50) ALDH1A1HTTLMNACYP3A4GAA
SCHEMBL30379161 0.80 CYP3A4 (0.50) ALDH1A1HTTLMNACYP3A4GAA
SCHEMBL11235465 0.80 GAA (0.47) ALDH1A1HTTLMNAMAPK1POLB
SCHEMBL17072863 0.79 ALDH1A1 (0.53) ALDH1A1HTTLMNAMAPK1CYP3A4
SCHEMBL11242443 0.78 RAB9A (0.48) HTTCYP3A4SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339455-A 1-(3-Pyridyl)-2,2,2-trihaloethyl compounds and fungicidal compositions containing the same CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1982-07-13 US disclosed
US-4189486-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1980-02-19 US disclosed