SCHEMBL14229355

SCHEMBL14229355

CCCC(=O)N(c1ccc(F)c(CC)c1)C(CCC)CCC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RIPK1 Q13546 1/20 0.32
GAA P10253 1/20 0.31
SLC9A1 P19634 1/20 0.31
DPP4 P27487 1/20 0.31
DPP9 Q86TI2 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
SCHEMBL14228939 0.92 LTB4R2 (0.33) TP53MEN1KMT2A
SCHEMBL14228937 0.90 TP53 (0.36) TP53MEN1KMT2ARIPK1SLC9A1
SCHEMBL14229028 0.89 PSEN1 (0.35) TP53MEN1KMT2ARIPK1GAA
SCHEMBL14543580 0.86 TP53 (0.35) TP53MEN1KMT2AGAA
SCHEMBL14200501 0.85 RIPK1 (0.38) RIPK1
SCHEMBL14229219 0.85 MEN1 (0.35) TP53MEN1KMT2ARIPK1SLC9A1
SCHEMBL14229074 0.85 CYP1A2 (0.36) TP53MEN1KMT2A
SCHEMBL14229693 0.85 ALDH1A1 (0.45) MEN1KMT2A
SCHEMBL14230197 0.83 MEN1 (0.33) TP53MEN1KMT2A
SCHEMBL14229433 0.81 GAA (0.34) RIPK1GAASLC9A1DPP4DPP9

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