SCHEMBL14066554

SCHEMBL14066554

CCc1ccc(-c2ccc(-c3ccc(CCC#N)cc3CC(C)C)cc2CC(C)C)cc1Cc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.56
PDE1A P54750 2/20 0.41
PDE1B Q01064 2/20 0.41
PDE1C Q14123 2/20 0.41
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
MCL1 Q07820 2/20 0.40
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR1 P21453 2/20 0.33
HTT P42858 1/20 0.32
BCL2L11 O43521 1/20 0.32
BAK1 Q16611 1/20 0.32

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
SCHEMBL14066628 0.97 BCL2L1 (0.57) BCL2L1PDE1APDE1BPDE1CTP53
SCHEMBL14066701 0.94 BCL2L1 (0.55) BCL2L1PDE1APDE1BPDE1CTP53
SCHEMBL14066613 0.91 BCL2L1 (0.56) BCL2L1PDE1APDE1BPDE1CTP53
SCHEMBL14066629 0.89 BCL2L1 (0.56) BCL2L1PDE1APDE1BPDE1CTP53
SCHEMBL4651150 0.89 BCL2L1 (0.56) BCL2L1PDE1APDE1BPDE1CTP53
SCHEMBL4651255 0.89 BCL2L1 (0.56) BCL2L1PDE1APDE1BPDE1CTP53
SCHEMBL4651452 0.88 BCL2L1 (0.57) BCL2L1PDE1APDE1BPDE1CTP53
SCHEMBL4651677 0.87 BCL2L1 (0.58) BCL2L1PDE1APDE1BPDE1CTP53
SCHEMBL4652440 0.87 BCL2L1 (0.58) BCL2L1PDE1APDE1BPDE1CTP53
SCHEMBL5720040 0.87 BCL2L1 (0.57) BCL2L1PDE1APDE1BPDE1CTP53

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