SCHEMBL8000745

SCHEMBL8000745

CCCCCCOc1c(OCCCC)c(=O)n(C)c2cc(NCc3ccccc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM2 Q14416 1/20 0.38
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 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
SCHEMBL7988858 0.97 ADRA2A (0.44) ADRA2AMAOBMAPTL3MBTL1ALDH1A1
SCHEMBL7997058 0.94 ADRA2A (0.43) ADRA2AHDAC11HDAC8MAOBMAPT
SCHEMBL7998809 0.92 ADRA2A (0.42) ADRA2AMAOBMAPTL3MBTL1ALDH1A1
SCHEMBL8000926 0.92 ADRA2A (0.42) ADRA2AMAOBMAPTL3MBTL1ALDH1A1
SCHEMBL7997215 0.91 ADRA2A (0.41) ADRA2AHDAC11HDAC8MAOBMAPT
SCHEMBL8001061 0.91 ADRA2A (0.41) ADRA2AHDAC11HDAC8MAOBMAPT
SCHEMBL8001986 0.90 ADRA2A (0.50) ADRA2AMAPTHPGDLMNAPOLB
SCHEMBL7988631 0.90 ADRA2A (0.50) ADRA2AMAPTHPGDLMNAPOLB
SCHEMBL8001220 0.90 KDM4E (0.43) ADRA2AHDAC11HDAC8MAPTALDH1A1
SCHEMBL7998584 0.89 ADRA2A (0.40) ADRA2AMAOBMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed