SCHEMBL7779036

SCHEMBL7779036

CCCCC(C)(C)C(=O)OF

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
CES2 O00748 4/20 0.39
ELANE P08246 2/20 0.36
FAAH O00519 8/20 0.34
CES1 P23141 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FDPS P14324 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACAT1 P24752 1/20 0.33
SOAT1 P35610 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL7781957 0.86 ELANE (0.46) CYP4F2CYP4A11CES2ELANEMEN1
SCHEMBL1245575 0.80 CYP4F2 (0.46) CYP4F2CYP4A11CES2ELANECES1
SCHEMBL474944 0.80 CYP4F2 (0.46) CYP4F2CYP4A11CES2ELANECES1
SCHEMBL28713995 0.79 CYP4F2 (0.50) CYP4F2CYP4A11CES2ELANEMEN1
SCHEMBL7941258 0.78 CYP4F2 (0.69) CYP4F2CYP4A11ELANEMEN1KMT2A
SCHEMBL2880832 0.78 CES2 (0.53) CES2FAAHCES1MEN1KMT2A
Hydrochloric Acid SCHEMBL28814883 0.78 CYP4F2 (0.44) CYP4F2CYP4A11ELANEMEN1KMT2A
SCHEMBL28164458 0.78 CYP4F2 (0.44) CYP4F2CYP4A11CES2ELANECES1
SCHEMBL28489181 0.78 CYP4F2 (0.44) CYP4F2CYP4A11CES2ELANECES1
SCHEMBL27516637 0.78 CYP4F2 (0.44) CYP4F2CYP4A11ELANEMEN1KMT2A

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-1135375-A2 SUBSTITUTED 1,3,5-TRIAZINES AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-09-26 EP disclosed
WO-2000032580-A2 SUBSTITUTED 1,3,5-TRIAZINES AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2000-06-08 WO disclosed