SCHEMBL8323966

SCHEMBL8323966

CNC(CC=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CA2 P00918 2/20 0.43
ACHE P22303 2/20 0.43
CA1 P00915 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 2/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TNF P01375 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
SCHEMBL7873221 0.79 ACHE (0.50) GAACA2ACHECA1ALDH1A1
Hydrochloric Acid SCHEMBL11341490 0.78 PPARG (0.57) CA2ACHECA1ALDH1A1CYP2C19
SCHEMBL8334710 0.78 ACHE (0.49) GAACA2ACHECA1ALDH1A1
SCHEMBL8324410 0.78 ACHE (0.49) GAACA2ACHECA1ALDH1A1
SCHEMBL8060110 0.74 CYP2D6 (0.55) CYP2C19POLBLMNANPSR1L3MBTL1
Hydrochloric Acid SCHEMBL5776514 0.73 PPARG (0.50) GAACA2ACHECA1ALDH1A1
SCHEMBL4440419 0.73 NFE2L2 (0.46) GAACA2ACHECA1ALDH1A1
SCHEMBL8204646 0.72 GAA (0.58) GAACA2ACHECA1ALDH1A1
Hydrochloric Acid SCHEMBL5775200 0.72 ALDH1A1 (0.46) GAACA2ACHECA1ALDH1A1
SCHEMBL9510573 0.72 ACHE (0.48) ACHEALDH1A1TSHRKMT2A

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
WO-2004045597-A1 METHODS OF USING AND COMPOSITIONS COMPRISING (+)-3-(3,4-DIMETHOXY-PHENYL)-3-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONAMIDE CELGENE CORPORATION (US) 2004-06-03 WO disclosed