SCHEMBL7546639

SCHEMBL7546639

C=CCn1c(OCC(F)C(F)F)n[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.35
S1PR4 O95977 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR9 Q9NR96 1/20 0.35
CYP3A4 P08684 1/20 0.33
ADORA2B P29275 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8505340 0.74 GAA (0.42) APOBEC3GTDP1NPC1S1PR4ALDH1A1
SCHEMBL7765236 0.72 ALDH1A1 (0.42) APOBEC3GTDP1NPC1S1PR4ALDH1A1
SCHEMBL5391863 0.67 CYP3A4 (0.46) APOBEC3GTDP1NPC1S1PR4ALDH1A1
SCHEMBL5391867 0.65 CYP3A4 (0.45) APOBEC3GTDP1NPC1S1PR4ALDH1A1
SCHEMBL7763858 0.65 CYP3A4 (0.45) APOBEC3GTDP1NPC1S1PR4ALDH1A1
SCHEMBL8419211 0.63 KDM4E (0.35) APOBEC3GTDP1NPC1S1PR4ALDH1A1
SCHEMBL21853415 0.63 CYP3A4 (0.42) APOBEC3GTDP1NPC1S1PR4ALDH1A1
SCHEMBL3584589 0.63 ADORA2B (0.42) APOBEC3GTDP1NPC1S1PR4ALDH1A1
SCHEMBL9413995 0.62 ALDH1A1 (0.48) TDP1NPC1S1PR4ALDH1A1MAPT
SCHEMBL7763885 0.61 ALDH1A1 (0.44) TDP1NPC1S1PR4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813528-B1 HERBICIDAL OR FUNGICIDAL SULPHONYLAMINOCARBONYLTRIAZOLINONES WITH HALOGENATED ALK(EN)OXY SUBSTITUENTS BAYER AG (DE) 2002-06-19 EP disclosed
US-6121204-A SELECTIVE CONTROL OF MONOCOTYLEDONOUS AND DICOTYLEDONOUS WEEDS IN MONOCOTYLEDONOUS AND DICOTYLEDONOUS CROPS, BOTH PRE-EMERGENCE AND POST-EMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed
EP-0813528-A1 HERBICIDAL OR FUNGICIDAL SULPHONYLAMINOCARBONYLTRIAZOLINONES WITH HALOGENATED ALK(EN)OXY SUBSTITUENTS BAYER AG (DE) 1997-12-29 EP disclosed
WO-1996027590-A1 HERBICIDAL OR FUNGICIDAL SULPHONYLAMINOCARBONYLTRIAZOLINONES WITH HALOGENATED ALK(EN)OXY SUBSTITUENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-12 WO disclosed