SCHEMBL28408396

SCHEMBL28408396

O=[C]CC(C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
LMNA P02545 3/20 0.50
MAPK1 P28482 1/20 0.50
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
POLB P06746 1/20 0.45
EPHX1 P07099 1/20 0.44
CPN1 P15169 1/20 0.43
CPB2 Q96IY4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL11630236 0.82 LMNA (0.55) LMNAMAPK1SMN1; SMN2CES2CES1
SCHEMBL19358768 0.82 CYP2C19 (0.52) CYP2C19LMNAMAPK1CYP2D6SRC
SCHEMBL31354947 0.82 CYP2C19 (0.52) CYP2C19LMNAMAPK1CYP2D6SRC
SCHEMBL5327981 0.82 CYP2C19 (0.52) CYP2C19LMNAMAPK1CYP2D6SRC
SCHEMBL11546366 0.80 CYP2C19 (0.50) CYP2C19LMNAMAPK1CYP2D6SRC
SCHEMBL30542013 0.79 CYP2C19 (0.49) CYP2C19LMNAMAPK1CYP2D6SRC
SCHEMBL30371912 0.78 CYP2C19 (0.61) CYP2C19LMNAMAPK1CYP2D6SRC
SCHEMBL7973743 0.78 CYP2C19 (0.61) CYP2C19LMNAMAPK1CYP2D6SRC
SCHEMBL27838359 0.77 CYP2C19 (0.55) CYP2C19LMNAMAPK1CYP2D6SRC
SCHEMBL4198436 0.76 CYP2C19 (0.59) CYP2C19LMNAMAPK1CYP2D6SRC

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-108137726-B Active energy ray-curable resin composition, coating material, coating film and film DIC株式会社 2020-05-08 CN disclosed