SCHEMBL28976554

SCHEMBL28976554

COCC(C=O)OC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 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
SCHEMBL29099355 1.00 LMNA (0.35) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28976553 1.00 LMNA (0.35) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29232576 0.82 MAPK1 (0.40) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL18987282 0.79 LMNA (0.38) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29099331 0.79 LMNA (0.32) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29099363 0.79 LMNA (0.32) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29099330 0.79 LMNA (0.32) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL21876522 0.78
SCHEMBL28975073 0.78
SCHEMBL4063252 0.76 TSHR (0.42) TSHRHSD17B10

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
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed
CN-115884810-A Imidazopyridazines as IL-17 modulators 詹森药业有限公司 2023-03-31 CN disclosed