SCHEMBL21067362

SCHEMBL21067362

CC(C)=CCOc1cc(C(N)=O)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
MAPK1 P28482 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SLC6A4 P31645 3/20 0.41
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.41
PTGES O14684 1/20 0.40
LRRK2 Q5S007 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL6409879 0.80 ADRA2A (0.49) MAPK1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL2762379 0.75 MAPK1 (0.58) MAPK1LMNAHTTSLC6A4LRRK2
SCHEMBL6135165 0.74 KDM4E (0.48) MAPK1LMNAHTTSLC6A4HTR2A
SCHEMBL6825718 0.73 RAB9A (0.46) MAPK1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL6652201 0.73 TSHR (0.54) PDE4BLMNAHTTPTGESKDM4E
SCHEMBL1586713 0.72 CA12 (0.63) PDE4BMAPK1LMNAHTTPTGES
SCHEMBL8212052 0.72 EP300 (0.45) PDE4BHTTPTGESKDM4ETSHR
SCHEMBL8203218 0.70 MAPT (0.48) PDE4BMAPK1LMNAKCNH2PTGES
SCHEMBL7788841 0.70 MAPT (0.55) ADRA2ALMNAHTTSLC6A3KDM4E
SCHEMBL16692664 0.70 TSHR (0.66) PDE4BMAPK1LMNAHTTPTGES

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-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed