SCHEMBL27874367

SCHEMBL27874367

CCCCC(S)C(=O)OC(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.40
CA1 P00915 4/20 0.40
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.35
NAAA Q02083 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
FAAH O00519 1/20 0.33
SLC15A1 P46059 1/20 0.33
MAPT P10636 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
SCHEMBL2133142 0.82 LMNA (0.46) CA2CA1LMNATSHRCYP3A4
SCHEMBL20483654 0.79 CA2 (0.45) CA2CA1TSHRCYP3A4ATM
SCHEMBL2136038 0.79 CA2 (0.45) CA2CA1LMNATSHRCYP3A4
SCHEMBL7704460 0.79 HDAC1 (0.39) CA2CA1LMNATSHRCYP3A4
SCHEMBL2134701 0.78 CA2 (0.41) CA2CA1TSHRCYP3A4ATM
SCHEMBL746613 0.78 ALDH1A1 (0.52) CA2CA1LMNATSHRCYP3A4
SCHEMBL2132188 0.78 CA2 (0.59) CA2CA1LMNATSHRCYP3A4
SCHEMBL28222433 0.78 CA2 (0.44) CA2CA1TSHRCYP3A4ATM
SCHEMBL2133854 0.78 ALDH1A1 (0.52) CA2CA1LMNATSHRCYP3A4
SCHEMBL2135548 0.78 CA2 (0.44) CA2CA1TSHRCYP3A4ATM

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-102471252-A Process for producing (fluoroalkylthio) acetic acid ester SUMITOMO CHEMICAL CO 2012-05-23 CN disclosed