SCHEMBL6098252

SCHEMBL6098252

CC(C(=O)OCc1ccccc1)c1cccc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.46
ALDH1A1 P00352 3/20 0.42
MAPK14 Q16539 1/20 0.40
ENPP2 Q13822 1/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
NMBR P28336 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
TACR1 P25103 4/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
DRD2 P14416 1/20 0.38
HPGDS O60760 1/20 0.38

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
SCHEMBL29966865 0.84 KMT2A (0.43) ALDH1A1DRD4DRD3LMNAHPGDS
SCHEMBL29966872 0.81 TUBB4A (0.42) ALDH1A1DRD4DRD3LMNA
SCHEMBL27351323 0.80 CASP1 (0.65) CASP1ALDH1A1LMNA
SCHEMBL10627511 0.79 ATM (0.48) CASP1NMBRTACR1LMNAMAPT
SCHEMBL6099297 0.79 PTGS2 (0.42) MAPT
SCHEMBL29966571 0.79 PTGS2 (0.42) MAPT
SCHEMBL7425563 0.76 ALDH1A1 (0.56) ALDH1A1MAPK14ENPP2MMP2MMP9
SCHEMBL28662043 0.75 TDP1 (0.53) CASP1ALDH1A1LMNA
SCHEMBL6099865 0.75 MAPT (0.44) ALDH1A1DRD4DRD3NMBRTACR1
SCHEMBL6377537 0.75 MAPT (0.38) ALDH1A1ENPP2DRD4DRD3LMNA

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
US-7153852-B2 Indole compounds, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-12-26 US disclosed