SCHEMBL7555697

SCHEMBL7555697

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 4/20 0.34
ATM Q13315 1/20 0.34
CA2 P00918 4/20 0.33
GGPS1 O95749 1/20 0.33
RECQL P46063 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DNM1 Q05193 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
SCHEMBL4602796 0.88 ALDH1A1 (0.37) CYP3A4L3MBTL1ALDH1A1TDP1TSHR
SCHEMBL5961206 0.79 GGPS1 (0.43) TSHRGGPS1
SCHEMBL5961203 0.79 GGPS1 (0.43) TSHRGGPS1
SCHEMBL28215424 0.76 SMPD1 (0.51) CYP3A4L3MBTL1GGPS1
SCHEMBL27957096 0.76 SMPD1 (0.51) CYP3A4L3MBTL1GGPS1
SCHEMBL7591041 0.76 SMPD1 (0.51) CYP3A4L3MBTL1GGPS1
SCHEMBL9660232 0.76 SMPD1 (0.51) CYP3A4L3MBTL1GGPS1
SCHEMBL9659799 0.76 SMPD1 (0.51) CYP3A4L3MBTL1GGPS1
SCHEMBL9659289 0.76 SMPD1 (0.51) CYP3A4L3MBTL1GGPS1
SCHEMBL7996314 0.76 GGPS1 (0.41) GGPS1

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
US-6114340-A Fungicidal compositions AGREVO UK LIMITED (GB) 2000-09-05 US claimed
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