SCHEMBL13680781

SCHEMBL13680781

O=CCCc1cccc(N2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.57
KMO O15229 1/20 0.49
LMNA P02545 1/20 0.46
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
AOC3 Q16853 3/20 0.43
PLOD2 O00469 2/20 0.43
PLOD3 O60568 2/20 0.43
PLOD1 Q02809 2/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
ADRA2C P18825 1/20 0.43
ALKBH1 Q13686 1/20 0.43
HDAC4 P56524 1/20 0.42
MEF2D Q14814 1/20 0.42

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
SCHEMBL13724480 0.86 AGXT (0.61) AGXTKMOLMNAPIK3CDPIK3CA
SCHEMBL4576250 0.86 AGXT (0.54) AGXTSIGMAR1HDAC4MEF2DMAPT
SCHEMBL27526752 0.85 PRMT6 (0.55) AGXTSIGMAR1HDAC4MEF2DMAPT
SCHEMBL13680782 0.83 SLC13A5 (0.49) LMNAPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4577362 0.82 AGXT (0.57) AGXTPLOD2PLOD3PLOD1SIGMAR1
SCHEMBL8189516 0.80 AGXT (0.61) AGXTKMOLMNAAOC3PLOD2
SCHEMBL425652 0.80 AGXT (0.66) AGXTKMOLMNAAOC3PLOD2
SCHEMBL13725027 0.80 AGXT (0.66) AGXTKMOLMNAAOC3PLOD2
Hydrochloric Acid SCHEMBL5673049 0.79 AGXT (0.60) AGXTKMOLMNAAOC3PLOD2
SCHEMBL30151165 0.78 KMO (0.58) AGXTKMOLMNAAOC3PLOD2

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed