SCHEMBL28400136

SCHEMBL28400136

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
TSHR P16473 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.35
PRKCA P17252 1/20 0.33
ALOX15 P16050 1/20 0.31
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
ADRA1A P35348 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL27991051 1.00 LMNA (0.41) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL1829129 0.84 LMNA (0.38) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL28415266 0.84 LMNA (0.38) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL28418994 0.84 LMNA (0.38) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL29109281 0.79 LMNA (0.34) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL29109280 0.79 LMNA (0.34) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL29254302 0.76 LMNA (0.32) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL18423562 0.76 ABHD6 (0.34) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL4966129 0.74 LMNA (0.36) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL28862663 0.74 GBA1 (0.31) PRKCA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076623-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-05-24 CN disclosed
CN-117940445-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-04-26 CN disclosed
CN-111171014-B Monocyclolactam compounds and uses thereof 南京圣和药业股份有限公司 2023-11-07 CN disclosed
CN-112771040-B Monocyclic lactam compounds and uses thereof 南京圣和药业股份有限公司 2022-10-18 CN disclosed
CN-112771040-A Monocyclic lactam compounds and uses thereof 南京圣和药业股份有限公司 2021-05-07 CN disclosed
CN-111171014-A Monocyclic lactam compounds and uses thereof 南京圣和药业股份有限公司 2020-05-19 CN disclosed