SCHEMBL14229283

SCHEMBL14229283

CCCC(=O)N(c1cc(C)cc(C)c1)C(C)CC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSPO P30536 5/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
THRB P10828 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GPX4 P36969 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL14229221 0.89 TP53 (0.35) TP53HTTNPSR1TSPOLMNA
SCHEMBL14229509 0.87 TP53 (0.40) TP53HTTNPSR1TSPOLMNA
SCHEMBL14228964 0.85 TP53 (0.37) TP53HTTNPSR1TSPOLMNA
SCHEMBL14543550 0.85 TP53 (0.36) TP53TSPOLMNANPC1ALDH1A1
SCHEMBL14229029 0.85 MEN1 (0.45) TP53HTTLMNAMEN1KMT2A
SCHEMBL14200772 0.81 HTT (0.34) HTTNPSR1TSPOMEN1KMT2A
SCHEMBL14229405 0.81 TP53 (0.36) TP53HTTNPSR1TSPOLMNA
SCHEMBL14230167 0.78 TP53 (0.35) TP53HTTNPSR1TSPOMEN1
SCHEMBL14229554 0.77 MEN1 (0.35) TP53LMNAMEN1KMT2ANPC1
SCHEMBL14228985 0.77 KMT2A (0.36) TP53LMNAMEN1KMT2ANPC1

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