SCHEMBL29136236

SCHEMBL29136236

COc1ccc(CN2CC(C(C)S(=O)(=O)c3ccc(C)cc3)C(C)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.44
▸ MMP1 P03956 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ ADAM17 P78536 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL29136262 0.73 GRM2 (0.50) GRM2MMP1MMP13ALDH1A1SMN1; SMN2
SCHEMBL26114640 0.71 GAA (0.46) GRM2MMP1MMP13ALDH1A1LMNA
SCHEMBL15757876 0.69 GRM2 (0.53) GRM2ALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL26116306 0.68 GAA (0.51) GRM2MMP1MMP13ALDH1A1LMNA
SCHEMBL26103002 0.68 GRM2 (0.51) GRM2MMP1MMP9MMP13ADAM17
SCHEMBL31726969 0.68 LMNA (0.52) MMP1MMP9MMP13ADAM17ALDH1A1
SCHEMBL3988359 0.66 LMNA (0.43) MMP1MMP9MMP13ADAM17ALDH1A1
SCHEMBL13792676 0.66 LMNA (0.43) MMP1MMP9MMP13ADAM17ALDH1A1
SCHEMBL14686990 0.63 MMP1 (0.62) GRM2MMP1MMP9MMP13ALDH1A1
SCHEMBL8348748 0.63 GRM2 (0.56) GRM2MMP1MMP13ALDH1A1LMNA

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
CN-114805168-B Pyrrolinones and synthesis method thereof 百顺药业有限公司 2024-01-09 — — CN disclosed
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