SCHEMBL8143223

SCHEMBL8143223

CCCCC(C(=O)OO)C(C)(C)CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.41
CA1 P00915 4/20 0.41
MAPK1 P28482 1/20 0.36
HSPD1 P10809 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
TSHR P16473 2/20 0.33
ATM Q13315 2/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CTSK P43235 2/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 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
SCHEMBL28408057 0.93 HSPD1 (0.42) CA2CA1HSPD1BLMHSPE1
SCHEMBL785688 0.93 HSPD1 (0.42) CA2CA1HSPD1BLMHSPE1
SCHEMBL8030299 0.86 CA2 (0.43) CA2CA1MAPK1HSPD1BLM
SCHEMBL284229 0.85 ACACB (0.32)
SCHEMBL5364625 0.84 CA2 (0.42) CA2CA1MAPK1HSPD1BLM
SCHEMBL10872095 0.83
SCHEMBL373122 0.82 CA2 (0.46) CA2CA1MAPK1HSPD1BLM
SCHEMBL30509260 0.79 USP2 (0.42) CA2CA1HSPD1BLMHSPE1
SCHEMBL786910 0.79 USP2 (0.42) CA2CA1HSPD1BLMHSPE1
SCHEMBL9850333 0.79 USP2 (0.42) CA2CA1HSPD1BLMHSPE1

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
US-6039896-A RESINS, ORGANIC PEROXIDE, THERMOPLASTIC ELASTOMERS AND PHOSPHORIC ESTERS SUMITOMO BAKELITE CO., LTD. (JP) 2000-03-21 US disclosed