SCHEMBL27344690

SCHEMBL27344690

CC(C)C(C(=O)O)c1ccc(OC(F)F)cc1.N#CC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
ALOX15 P16050 1/20 0.41
GFER P55789 1/20 0.41
ADAM17 P78536 1/20 0.41
ATM Q13315 2/20 0.39
DAGLA Q9Y4D2 1/20 0.39
ACACB O00763 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
DRD1 P21728 1/20 0.38
PDE2A O00408 2/20 0.38
PKM P14618 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 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
SCHEMBL3681215 0.94 AKR1C3 (0.55) AKR1C3AKR1C2ALOX15GFERADAM17
SCHEMBL3424037 0.94 AKR1C3 (0.55) AKR1C3AKR1C2ALOX15GFERADAM17
SCHEMBL8455312 0.94 AKR1C3 (0.55) AKR1C3AKR1C2ALOX15GFERADAM17
Hydrochloric Acid SCHEMBL11153465 0.92 AKR1C3 (0.54) AKR1C3AKR1C2ALOX15GFERADAM17
SCHEMBL8457607 0.80 ALOX15 (0.44) AKR1C3AKR1C2ALOX15GFERADAM17
SCHEMBL11309843 0.80 L3MBTL1 (0.46) AKR1C3AKR1C2ALOX15GFERADAM17
SCHEMBL8457604 0.80 ALOX15 (0.44) AKR1C3AKR1C2ALOX15GFERADAM17
SCHEMBL11155861 0.78 PTGS1 (0.50) AKR1C3AKR1C2DAGLALMNAHTT
SCHEMBL10707144 0.78 KMT2A (0.47) AKR1C3AKR1C2ALOX15GFERADAM17
SCHEMBL10881708 0.77 PTGS2 (0.52) AKR1C3AKR1C2ALOX15GFERADAM17

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1058841-C Fungicidal oxazolidinones DU PONT (US) 2000-11-29 CN disclosed
CN-1028143-C Oxazolidinone sterilization composition DU PONT (US) 1995-04-12 CN disclosed
CN-1096157-A Antifungal De oxazolidone DU PONT (US) 1994-12-14 CN disclosed