SCHEMBL28784684

SCHEMBL28784684

O=C(CCc1ccccc1)c1cccc2c1CC(C(=O)O)N2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
CYP19A1 P11511 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HIF1A Q16665 1/20 0.39
KEAP1 Q14145 1/20 0.38
ABCB1 P08183 7/20 0.38
KCNH2 Q12809 1/20 0.38
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL11199879 0.79 MAPT (0.40) MAPTGAAKDM4EHIF1AKEAP1
SCHEMBL12629105 0.79 MAPT (0.47) MAPTGAAKDM4EHIF1APOLB
SCHEMBL27768522 0.78 MAPT (0.49) MAPTGAAKDM4EHIF1AALDH1A1
SCHEMBL27768409 0.77 GAA (0.54) MAPTGAAALDH1A1
SCHEMBL13229755 0.76 S1PR5 (0.53) MAPTGAAKDM4EHIF1AFFAR1
SCHEMBL27768438 0.76 MAPT (0.53) MAPTGAAKDM4EHIF1A
SCHEMBL13228878 0.75 MAPT (0.49) MAPTGAAKDM4EPOLBALDH1A1
SCHEMBL27768482 0.75 S1PR5 (0.51) MAPTGAAFFAR1
SCHEMBL27790051 0.74 S1PR5 (0.47) MAPTGAAFFAR1
SCHEMBL15095006 0.73 GAA (0.41) MAPTGAAKCNH2ALDH1A1

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