SCHEMBL3702097

SCHEMBL3702097

CC(C)Oc1cc(Cl)c(C(=O)O)cc1-n1cccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.39
KCNH2 Q12809 3/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
G6PD P11413 1/20 0.37
KMT2A Q03164 1/20 0.37
KMO O15229 2/20 0.37
HCAR1 Q9BXC0 1/20 0.35
TSHR P16473 1/20 0.34
AVPR2 P30518 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL1788949 0.89 IRAK4 (0.45) PTGDRKCNH2ALDH1A1KDM4EMEN1
SCHEMBL1784772 0.88 HSP90AA1 (0.37) PTGDRALDH1A1KDM4EMEN1LMNA
SCHEMBL3706149 0.86 GHSR (0.41) KCNH2ALDH1A1KDM4EMEN1LMNA
SCHEMBL3704400 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL3709384 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL1790817 0.77 ACLY (0.45) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL1785351 0.75 CAPN1 (0.42) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL1784466 0.75 GHSR (0.42) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL1787503 0.72 HCAR1 (0.46) KCNH2ALDH1A1KDM4EMEN1LMNA
SCHEMBL1786846 0.71 HCAR1 (0.47) ALDH1A1KDM4ELMNAHCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 WO disclosed