SCHEMBL28015264

SCHEMBL28015264

O=C(O)c1cc(OCC(F)(F)F)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ALPL P05186 9/20 0.40
CA12 O43570 4/20 0.40
RPA1 P27694 1/20 0.40
TP53 P04637 1/20 0.39
HCAR3 P49019 4/20 0.39
PIN1 Q13526 1/20 0.39
ASPH Q12797 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CA9 Q16790 2/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL27258762 0.81 ALPL (0.47) L3MBTL1ALPLTP53POLBMAPK1
SCHEMBL28237888 0.78 ALPL (0.42) ALPLCA12RPA1TP53HCAR3
SCHEMBL28111052 0.74 HCAR2 (0.45) L3MBTL1HCAR3ASPHHCAR2
SCHEMBL18695637 0.73 L3MBTL1 (0.37) L3MBTL1HCAR2POLBMAPK1
SCHEMBL6262942 0.73 HCAR2 (0.54) TP53HCAR3PIN1HCAR2
SCHEMBL17351776 0.73 MAPT (0.44) L3MBTL1POLBMAPK1
SCHEMBL28154526 0.72 ALPL (0.54) ALPLCA12RPA1TP53HCAR3
SCHEMBL1498674 0.72 ALPL (0.46) ALPLCA12RPA1TP53HCAR3
SCHEMBL6111071 0.71 ALPL (0.42) ALPLCA12RPA1TP53HCAR3
SCHEMBL30986542 0.71 ALPL (0.42) ALPLCA12RPA1TP53HCAR3

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
CN-102317263-B Halogen substituted compounds as pesticides BAYER IP GMBH 2015-04-22 CN disclosed