SCHEMBL14201009

SCHEMBL14201009

CCC(CC)N(C(=O)CC(C)(C)C)c1cc(C)c(F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL14200856 0.90 L3MBTL1 (0.32) L3MBTL1LMNAMEN1KMT2A
SCHEMBL14201031 0.89 L3MBTL1 (0.33) L3MBTL1LMNAMEN1KMT2APOLB
SCHEMBL14201106 0.88 L3MBTL1 (0.31) L3MBTL1
SCHEMBL14229071 0.85 POLB (0.30) LMNAMEN1KMT2APOLB
SCHEMBL14201012 0.84 PSEN1 (0.32) L3MBTL1
SCHEMBL14201020 0.82 MLYCD (0.30) L3MBTL1
SCHEMBL14200854 0.79 L3MBTL1 (0.34) L3MBTL1POLBAPEX1ALDH1A1
SCHEMBL14200734 0.78 RIPK1 (0.34)
SCHEMBL14201091 0.77 AKR1B1 (0.35) MEN1KMT2A
SCHEMBL14200486 0.77 ALDH1A1 (0.44) LMNAMEN1KMT2AALDH1A1HTT

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