SCHEMBL14200830

SCHEMBL14200830

CCC(C)N(Cc1ccc(OC)c(OC)c1)C(=O)CC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
STAT3 P40763 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 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
SCHEMBL14200767 0.91 LDHA (0.42) LDHASTAT3L3MBTL1ALDH1A1ACHE
SCHEMBL14200770 0.89 EPHX2 (0.44)
SCHEMBL14229054 0.85 LDHA (0.46) LDHASTAT3L3MBTL1ALDH1A1ACHE
SCHEMBL14200831 0.84 LDHA (0.43) LDHASTAT3L3MBTL1ALDH1A1ACHE
SCHEMBL14200763 0.82 SIGMAR1 (0.42) LDHASTAT3ALDH1A1
SCHEMBL14200827 0.82 TRPM8 (0.37) L3MBTL1ALDH1A1ACHEMEN1KMT2A
SCHEMBL14200838 0.82 ALDH1A1 (0.45) L3MBTL1ALDH1A1ACHEMEN1KMT2A
SCHEMBL14200909 0.80 RIPK1 (0.49) ALDH1A1
SCHEMBL14200876 0.80 F2R (0.45)
SCHEMBL9781324 0.80 LDHA (0.46) LDHASTAT3L3MBTL1ALDH1A1ACHE

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-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed