SCHEMBL13052018

SCHEMBL13052018

CNCCCCNC(=O)Nc1ccc(C(=O)CC(=O)c2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TP53 P04637 2/20 0.55
HIF1A Q16665 1/20 0.55
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
CNR1 P21554 1/20 0.48
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EPHX1 P07099 4/20 0.47
MAPT P10636 2/20 0.46
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL13199541 0.85 MAPT (0.54) ALDH1A1TP53HDAC1HDAC2CNR1
SCHEMBL13052020 0.83 SMN1; SMN2 (0.56) ALDH1A1TP53HIF1AHDAC1HDAC2
SCHEMBL12893243 0.82 SMN1; SMN2 (0.66) ALDH1A1TP53HIF1AHDAC1HDAC2
SCHEMBL14424475 0.77 EPHX1 (0.64) ALDH1A1HDAC1HDAC2CNR1HTT
SCHEMBL20709030 0.76 EPHX1 (0.77) ALDH1A1HDAC1HDAC2HTTSMN1; SMN2
SCHEMBL24017724 0.75 ALDH1A1 (0.59) ALDH1A1TP53HIF1AHDAC1HDAC2
SCHEMBL12927922 0.74 TSHR (0.55) ALDH1A1CNR1HTTSMN1; SMN2EPHX1
SCHEMBL14423986 0.74 MAPT (0.76) ALDH1A1TP53HIF1ACNR1HTT
SCHEMBL16383171 0.74 HTT (0.56) ALDH1A1HDAC1HDAC2CNR1HTT
SCHEMBL16378809 0.74 CNR1 (0.53) ALDH1A1TP53HIF1AHDAC1HDAC2

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-20100297211-A1 BIOBENEFICIAL POLYAMIDE/POLYETHYLENE GLYCOL POLYMERS FOR USE WITH DRUG ELUTING STENTS PACETTI STEPHEN D 2010-11-25 US disclosed