SCHEMBL28201803

SCHEMBL28201803

CC(=CO)C(=O)O.CC(=CO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
AKR1C3 P42330 1/20 0.40
FFAR3 O14843 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NFKB1 P19838 1/20 0.32
TRPA1 O75762 1/20 0.32
APEX1 P27695 2/20 0.31
TSHR P16473 1/20 0.31
THPO P40225 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL149416 1.00
SCHEMBL8302855 1.00
SCHEMBL34404 1.00
SCHEMBL8935075 0.97
Acetamide SCHEMBL27400623 0.91 LMNA (0.47) PTGS1AKR1C3FFAR3LCKFYN
Phosphoric Acid SCHEMBL15157054 0.88 PTGS1 (0.34) PTGS1AKR1C3FFAR3LCKFYN
Methacrylic Acid SCHEMBL7518017 0.88 TDP1 (0.36) PTGS1AKR1C3FFAR3LCKFYN
Fumaric Acid SCHEMBL4606405 0.88 TSHR (0.50) PTGS1AKR1C3FFAR3LCKFYN
Methacrylic Acid SCHEMBL27617320 0.88 TDP1 (0.36) PTGS1AKR1C3FFAR3LCKFYN
Maleic Acid SCHEMBL4606400 0.88 TSHR (0.50) PTGS1AKR1C3FFAR3LCKFYN

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-107629189-A A kind of preparation and application of low-viscosity polyurethane acrylate 天津久日新材料股份有限公司 2018-01-26 CN claimed