SCHEMBL28230451

SCHEMBL28230451

O=C(O)CCCS.OCSSCO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.61
CAMK2A Q9UQM7 1/20 0.46
LMNA P02545 3/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
TSHR P16473 3/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ACE P12821 1/20 0.41
ENPEP Q07075 3/20 0.39
GSTK1 Q9Y2Q3 2/20 0.39
GABRR3 A8MPY1 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
HDAC3 O15379 1/20 0.39
GABBR2 O75899 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39

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
Mercaptopropionic Acid SCHEMBL20357759 0.85 ACE (0.50) FOLH1CAMK2ALMNASLC22A6TSHR
Mercaptopropionic Acid SCHEMBL29395634 0.85 ACE (0.50) FOLH1CAMK2ALMNASLC22A6TSHR
SCHEMBL37529 0.84
Ethylene Glycol SCHEMBL3093527 0.82 FOLH1 (0.70) FOLH1CAMK2ALMNASLC22A6TSHR
Ethylene Glycol SCHEMBL29183001 0.82 FOLH1 (0.70) FOLH1CAMK2ALMNASLC22A6TSHR
Hydrochloric Acid SCHEMBL7707629 0.82
Hydrochloric Acid SCHEMBL9687184 0.82
SCHEMBL4293232 0.82
SCHEMBL11145645 0.82 FOLH1 (0.78) FOLH1CAMK2ALMNASLC22A6TSHR
Alcohol SCHEMBL29120295 0.80 FOLH1 (0.67) FOLH1CAMK2ALMNASLC22A6TSHR

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-108350147-A Curable composition, adhesive, article having coating layer, fiber-reinforced composite material, potting agent, and curable composition kit 三菱化学株式会社 2018-07-31 CN disclosed