SCHEMBL21786772

SCHEMBL21786772

C=C[C@H](OC(N)=O)C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
TSHR P16473 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
FGFR4 P22455 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 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
SCHEMBL17472748 0.81 TSHR (0.35) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL1489359 0.79 TSHR (0.33) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL28672178 0.75 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL11367727 0.74
SCHEMBL59826 0.71
SCHEMBL28693892 0.71
SCHEMBL3478304 0.70
SCHEMBL538268 0.69
SCHEMBL237880 0.69
SCHEMBL16767715 0.68 ALDH1A1 (0.38) TSHRALDH1A1TDP1

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-2020043533-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2020-03-05 WO disclosed