SCHEMBL14066701

SCHEMBL14066701

CC(C)Cc1cc(CCC#N)ccc1-c1ccc(-c2ccc(CCC#N)c(Cc3cccc4ccccc34)c2)c(CC(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.55
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
MCL1 Q07820 2/20 0.39
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 0.33
REN P00797 1/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
ESR1 P03372 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
SCHEMBL14066613 0.97 BCL2L1 (0.56) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL14066554 0.94 BCL2L1 (0.56) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL14066628 0.92 BCL2L1 (0.57) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL14066629 0.90 BCL2L1 (0.56) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL4651255 0.90 BCL2L1 (0.56) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL4651150 0.90 BCL2L1 (0.56) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL4651452 0.90 BCL2L1 (0.57) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL4651677 0.89 BCL2L1 (0.58) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL4652440 0.89 BCL2L1 (0.58) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL4652272 0.88 BCL2L1 (0.62) BCL2L1TP53MDM2MCL1PDE1A

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
EP-1408986-B1 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2008-09-24 EP disclosed