SCHEMBL7777968

SCHEMBL7777968

CC(=O)C(=O)c1ccc(F)cc1F

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.76
CES1 P23141 4/20 0.76
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 1/20 0.41
SNCA P37840 1/20 0.41
ACKR3 P25106 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL8070666 0.87 CES2 (1.00) CES2CES1CYP11B1CYP11B2L3MBTL1
SCHEMBL11570 0.83 CES2 (0.68) CES2CES1L3MBTL1HTTKMT2A
SCHEMBL29372550 0.83 CES2 (0.68) CES2CES1L3MBTL1HTTKMT2A
SCHEMBL4029243 0.82 CES2 (0.50) CES2CES1KMT2A
SCHEMBL6701425 0.81 CES2 (0.66) CES2CES1CYP11B1CYP11B2L3MBTL1
SCHEMBL6701419 0.81 CES2 (0.66) CES2CES1CYP11B1CYP11B2L3MBTL1
SCHEMBL7715988 0.81 CES2 (0.79) CES2CES1CYP11B1CYP11B2L3MBTL1
SCHEMBL3184249 0.79 CES2 (0.68) CES2CES1CYP11B1CYP11B2L3MBTL1
SCHEMBL18242037 0.78 CES2 (0.60) CES2CES1L3MBTL1HTTKMT2A
SCHEMBL13291390 0.78 CES2 (0.74) CES2CES1L3MBTL1HTTKMT2A

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-1137627-A1 PROCESS FOR THE PREPARATION OF STROBILURIN INTERMEDIATES Bayer Aktiengesellschaft (DE) 2001-10-04 EP disclosed
WO-2000034229-A1 PROCESS FOR THE PREPARATION OF STROBILURIN INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 2000-06-15 WO disclosed