SCHEMBL5133636

SCHEMBL5133636

NC(=O)C[CH]CCC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALOX15 P16050 2/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 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
SCHEMBL15774854 0.86 CNR1 (0.42) SOAT1KMT2ATP53CYP1A2CYP3A4
SCHEMBL4822553 0.80 HDAC3 (0.37) SOAT1KMT2ATP53CYP1A2CYP3A4
SCHEMBL7974672 0.79 LMNA (0.37) SOAT1KMT2ATP53CYP1A2CYP3A4
SCHEMBL1289911 0.78
SCHEMBL1043398 0.78
SCHEMBL14813859 0.78
SCHEMBL8002641 0.76
SCHEMBL4865819 0.76
SCHEMBL17152223 0.76
SCHEMBL701233 0.74

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-7442779-B2 Isolation of proteins UPFRONT CHROMATOGRAPHY A/S (DK) 2008-10-28 US disclosed
US-20050176122-A1 Isolation of proteins UPFRONT CHROMATOGRAPHY A/S 2005-08-11 US disclosed