SCHEMBL27768409

SCHEMBL27768409

O=C(c1ccccc1)c1cccc2c1CC(C(=O)O)N2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
MAPT P10636 2/20 0.54
AKR1C3 P42330 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL28784684 0.77 MAPT (0.48) GAAMAPTALDH1A1
SCHEMBL27790180 0.76 GAA (0.57) GAAMAPT
SCHEMBL27768464 0.75 MAPT (0.53) GAAMAPTTDP1
SCHEMBL27768438 0.75 MAPT (0.53) GAAMAPT
SCHEMBL13241463 0.75 GAA (0.56) GAAMAPTALDH1A1
SCHEMBL4999605 0.75 GAA (0.56) GAAMAPT
1,2-Dimethoxybenzene SCHEMBL27572044 0.72 GAA (0.53) GAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL926564 0.72 DRD2 (0.52) GAAMAPTSMN1; SMN2ALDH1A1TDP1
SCHEMBL7660514 0.72 DRD2 (0.52) GAAMAPTSMN1; SMN2ALDH1A1TDP1
SCHEMBL27665063 0.72 GAA (0.51) GAAMAPT

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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed