SCHEMBL13807013

SCHEMBL13807013

CN[C@@H](CC(=O)NCCO)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.37
CNR1 P21554 4/20 0.34
RAB9A P51151 1/20 0.34
TRPV1 Q8NER1 2/20 0.32
SELP P16109 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
FAAH O00519 1/20 0.32
KCNK3 O14649 1/20 0.32
CNR2 P34972 1/20 0.32
BLM P54132 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAAA Q02083 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 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
SCHEMBL19646651 0.85 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL24641589 0.81 SMN1; SMN2 (0.37) ALDH1A1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL13807014 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL24478833 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL21964558 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AFAAHTP53
SCHEMBL8477259 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AFAAHTP53
SCHEMBL14184587 0.80 MCL1 (0.38) KMT2ARAB9AFAAHSMN1; SMN2
SCHEMBL12085207 0.79 CASP2 (0.53) MEN1KMT2AFAAHNAAA
SCHEMBL22680198 0.79 CASP2 (0.53) MEN1KMT2AFAAHNAAA
SCHEMBL12642026 0.79 CASP2 (0.53) MEN1KMT2AFAAHNAAA

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
WO-2009074569-A1 TARGETING AND THERAPEUTIC COMPOUNDS WITH A POLYPROLINE-COMPRISING SPACER AND GAS-FILLED MICROVESICLES COMPRISING SAID COMPOUNDS BRACCO INTERNATIONAL BV (NL) 2009-06-18 WO disclosed