SCHEMBL17462011

SCHEMBL17462011

CCC(CC)NCC(O)CNC(C)C(C)N

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.32
LMNA P02545 2/20 0.31
CNR1 P21554 1/20 0.31
ADRA1A P35348 1/20 0.31
ABCC3 O15438 1/20 0.30

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
SCHEMBL11235150 0.77 ALDH1A1 (0.35) TDP1ALDH1A1LMNA
SCHEMBL14378538 0.75 KDM4E (0.40) KDM4ETDP1SMN1; SMN2MEN1ALDH1A1
SCHEMBL11227378 0.73 KDM4E (0.42) KDM4EMEN1KMT2A
SCHEMBL11220894 0.72 MAPT (0.41) ADRA1A
SCHEMBL13612890 0.72 LMNA (0.48) KDM4ETDP1SMN1; SMN2MEN1ALDH1A1
SCHEMBL20988048 0.72 LMNA (0.48) KDM4ETDP1SMN1; SMN2MEN1ALDH1A1
SCHEMBL19090720 0.72 LMNA (0.48) KDM4ETDP1SMN1; SMN2MEN1ALDH1A1
SCHEMBL7207274 0.71 TSHR (0.47) KDM4ETDP1SMN1; SMN2MEN1ALDH1A1
SCHEMBL11232890 0.71 CASR (0.36) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL20987984 0.68 THRB (0.40) KDM4ETDP1SMN1; SMN2MEN1ALDH1A1

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-20160024233-A1 SEQUESTRANTS OF ADVANCED GLYCATION END PRODUCT (AGE) PRECURSORS GENZYME CORPORATION 2016-01-28 US disclosed