SCHEMBL28245698

SCHEMBL28245698

[CH2]CC(CCCCC(=O)O)S(=O)(=O)O.[LiH]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
GSTK1 Q9Y2Q3 2/20 0.40
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
ENPEP Q07075 1/20 0.39
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.36

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
SCHEMBL28245758 0.96 LMNA (0.41) LMNAGSTK1TSHRNFKB1PMP22
SCHEMBL27679136 0.82 LMNA (0.46) LMNAGSTK1TSHRNFKB1PMP22
SCHEMBL16719255 0.78 FFAR4 (0.50) LMNATSHRNFKB1PMP22FFAR1
SCHEMBL719485 0.78 LMNA (0.44) LMNAGSTK1TSHRNFKB1PMP22
SCHEMBL8831205 0.76 FFAR4 (0.62) TSHRFFAR1FFAR4GPR84ALDH1A1
SCHEMBL8831544 0.76 ALDH1A1 (0.56) TSHRFFAR1FFAR4GPR84ALDH1A1
SCHEMBL16342953 0.76 FFAR4 (0.62) TSHRFFAR1FFAR4GPR84ALDH1A1
SCHEMBL8831318 0.76 FFAR4 (0.62) TSHRFFAR1FFAR4GPR84ALDH1A1
SCHEMBL8831180 0.76 FFAR4 (0.62) TSHRFFAR1FFAR4GPR84ALDH1A1
SCHEMBL18677287 0.76 FFAR4 (0.62) TSHRFFAR1FFAR4GPR84ALDH1A1

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
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 CN disclosed