SCHEMBL7736024

SCHEMBL7736024

C=C(C(=O)O)C(CCCC)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.44
MAPK1 P28482 1/20 0.44
CA1 P00915 4/20 0.39
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
SLC1A3 P43003 1/20 0.38
HSPD1 P10809 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
PDF Q9HBH1 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL5268023 0.93 HSPD1 (0.45) CA2HSPD1BLMHSPE1GPR84
SCHEMBL2230112 0.79 CA2 (0.56) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL3261112 0.79 CA2 (0.56) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL3766817 0.78 CA2 (0.45) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL6418267 0.76 ALDH1A1 (0.36) CA2MAPK1CA1HPGD
SCHEMBL4946235 0.76 CA2 (0.63) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL8412345 0.76 CA2 (0.52) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL14142959 0.75 CA2 (0.45) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL3716492 0.74 CA2 (0.55) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL15864921 0.74 CA2 (0.55) CA2MAPK1CA1SLC1A2SLC1A1

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
EP-1266943-A2 Ink-jet ink composition for color filter, production method for ink composition, and production method for color filter Dai Nippon Printing Co., Ltd. (JP) 2002-12-18 EP disclosed