SCHEMBL4602796

SCHEMBL4602796

CCCCCCCC(CC(CC)CCCC)(CC(CC)CCCC)O[PH](=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 4/20 0.36
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
CA2 P00918 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GGPS1 O95749 1/20 0.34
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CA1 P00915 1/20 0.33
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
SMPD1 P17405 3/20 0.31
FDPS P14324 1/20 0.31

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
SCHEMBL7555697 0.88 CYP3A4 (0.37) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL5961204 0.81 GGPS1 (0.45) GGPS1SMPD1FDPS
SCHEMBL5961208 0.81 GGPS1 (0.45) GGPS1SMPD1FDPS
SCHEMBL28386333 0.79 GGPS1 (0.44) GGPS1SMPD1FDPS
SCHEMBL7996316 0.79 GGPS1 (0.44) GGPS1SMPD1FDPS
SCHEMBL7982103 0.77 GGPS1 (0.41) GGPS1SMPD1FDPS
SCHEMBL4513917 0.77 GGPS1 (0.41) GGPS1SMPD1FDPS
SCHEMBL9660232 0.77 SMPD1 (0.51) CYP3A4L3MBTL1GGPS1SMPD1FDPS
SCHEMBL9659799 0.77 SMPD1 (0.51) CYP3A4L3MBTL1GGPS1SMPD1FDPS
SCHEMBL9659289 0.77 SMPD1 (0.51) CYP3A4L3MBTL1GGPS1SMPD1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114340-A Fungicidal compositions AGREVO UK LIMITED (GB) 2000-09-05 US claimed
EP-1515609-B1 HERBICIDAL COMPOSITION SYNGENTA LTD (GB) 2008-04-23 EP disclosed
US-6399623-B1 FLUQUINCONAZOLE FOR COMBATING WOOD DAMAGING FUNGI AGREVO UK LTD. (GB) 2002-06-04 US disclosed
US-20020035116-A1 Fluquinconazole for combating wood damaging fungi AGREVO UK LIMITED 2002-03-21 US disclosed
US-6303616-B1 Wood treatment AGREVO UK LIMITED (FR) 2001-10-16 US disclosed