SCHEMBL29956817

SCHEMBL29956817

C=CCNC(=O)CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
TSHR P16473 2/20 0.60
MAPT P10636 2/20 0.60
FAAH O00519 1/20 0.48
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38

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
SCHEMBL26091851 0.87 SMN1; SMN2 (0.68) SMN1; SMN2TSHRMAPTFAAHKMT2A
SCHEMBL3459599 0.81 SMN1; SMN2 (0.68) SMN1; SMN2TSHRMAPTFAAHKMT2A
SCHEMBL9047027 0.79 SMN1; SMN2 (0.54) SMN1; SMN2TSHRMAPTFAAHKMT2A
SCHEMBL1958588 0.79 SMN1; SMN2 (0.81) SMN1; SMN2TSHRMAPTFAAHKMT2A
SCHEMBL1417131 0.78 SMN1; SMN2 (0.58) SMN1; SMN2TSHRMAPTFAAHKMT2A
SCHEMBL4068835 0.78 SMN1; SMN2 (0.58) SMN1; SMN2TSHRMAPTFAAHKMT2A
SCHEMBL6881087 0.78 TSHR (0.83) SMN1; SMN2TSHRMAPTFAAHHTT
SCHEMBL3594562 0.78 MAPT (0.83) SMN1; SMN2TSHRMAPTFAAHHTT
SCHEMBL5494155 0.77
SCHEMBL206601 0.77

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed