SCHEMBL4374262

SCHEMBL4374262

CCOC(=O)C(=O)C(C(=O)OCC)c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
GAA P10253 4/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ATM Q13315 1/20 0.43
ABCB1 P08183 1/20 0.42
CASP1 P29466 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 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
SCHEMBL1432899 0.90 CYP3A4 (0.47) MAPTCYP3A4CYP2C9TDP1ALDH1A1
SCHEMBL8027004 0.85 CYP3A4 (0.47) MAPTGAACYP3A4CYP2C9ATM
SCHEMBL16068737 0.81 CYP3A4 (0.44) MAPTGAACYP3A4CYP2C9TDP1
SCHEMBL13228091 0.80 MAPT (0.42) MAPTGAACYP3A4CYP2C9TDP1
SCHEMBL11022536 0.79 CYP3A4 (0.46) MAPTCYP3A4CYP2C9TDP1ALDH1A1
SCHEMBL9365929 0.78 CYP3A4 (0.45) MAPTCYP3A4CYP2C9ABCB1TDP1
SCHEMBL3900032 0.77 KYAT1 (0.46) MAPTGAACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL3533537 0.77 LMNA (0.47) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL15918360 0.76 CASP1 (0.71) MAPTGAACYP3A4CYP2C9ATM
SCHEMBL7933386 0.75 CYP3A4 (0.43) MAPTCYP3A4CYP2C9TDP1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed