SCHEMBL7522384

SCHEMBL7522384

O=C(O)CC(C=C(Cl)Cl)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 3/20 0.42
CTSA P10619 8/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 2/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL7524690 0.81 GLRA1 (0.40) CTSAKMT2A
SCHEMBL7518828 0.81 CTSA (0.43) CTSA
SCHEMBL7524496 0.78 GABBR2 (0.46) CTSAKMT2A
SCHEMBL7520756 0.78 KDM4E (0.40) CTSAKMT2AGAA
SCHEMBL7522886 0.77 MEN1 (0.47) CTSAMEN1KMT2AALDH1A1
SCHEMBL7527581 0.76 SMN1; SMN2 (0.42) CTSAMEN1KMT2AALDH1A1
SCHEMBL5685248 0.76 EEF2K (0.50) EEF2KCTSAMEN1KMT2ACNR2
SCHEMBL7527677 0.76 CTSA (0.41) CTSAALDH1A1ALOX15
SCHEMBL7522086 0.74 FFAR1 (0.43) CTSAALDH1A1
SCHEMBL8770868 0.73 CES2 (0.49) EEF2KCTSAMEN1KMT2ACNR2

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
EP-1181267-A1 HALOGEN COMPOUNDS Bayer Aktiengesellschaft (DE) 2002-02-27 EP disclosed
WO-2000071500-A1 HALOGEN COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2000-11-30 WO disclosed