SCHEMBL14229263

SCHEMBL14229263

CCCCc1c(C)cccc1NC(=O)CCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
GAA P10253 3/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51

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
SCHEMBL14230176 0.95 MAPK1 (0.53) MAPK1GAAPOLBALDH1A1MEN1
SCHEMBL14229306 0.94 MEN1 (0.53) MAPK1GAAPOLBALDH1A1MEN1
SCHEMBL14229281 0.92 MAPK1 (0.55) MAPK1GAAPOLBALDH1A1MEN1
SCHEMBL14229246 0.88 MAPK1 (0.57) MAPK1GAAPOLBALDH1A1MEN1
SCHEMBL14228994 0.87 MAPK1 (0.53) MAPK1GAAPOLBALDH1A1MEN1
SCHEMBL14229077 0.85 MAPK1 (0.51) MAPK1GAAPOLBALDH1A1MEN1
SCHEMBL14201050 0.84 HPGD (0.55) GAAPOLBALDH1A1MEN1KMT2A
SCHEMBL14229423 0.82 MAPK1 (0.51) MAPK1GAAALDH1A1MEN1LMNA
SCHEMBL14543581 0.82 POLB (0.45) POLBLMNAHDAC3HDAC4HDAC1
SCHEMBL20367747 0.82 HDAC1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed