SCHEMBL29868575

SCHEMBL29868575

O=C1C=CC(=O)N1C1CO1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.31
▸ FAAH O00519 1/20 0.31

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
SCHEMBL7960718 0.71 SLC6A2 (0.33) —
SCHEMBL4740264 0.70 TP53 (0.33) TP53HBBSMN1; SMN2
SCHEMBL25299183 0.68 — —
SCHEMBL11505554 0.67 CYP1A2 (0.44) —
SCHEMBL3414903 0.67 ALDH1A1 (0.46) MGLLGSK3AGSK3BTP53SMN1; SMN2
SCHEMBL10901620 0.67 MGLL (0.36) MGLLGSK3AGSK3BTP53SMN1; SMN2
SCHEMBL209765 0.67 ALDH1A1 (0.46) MGLLGSK3AGSK3BTP53SMN1; SMN2
SCHEMBL2741217 0.66 — —
SCHEMBL10714854 0.65 ALDH1A1 (0.36) MGLLGSK3AGSK3BSMN1; SMN2FAAH
SCHEMBL962547 0.64 TP53 (0.54) MGLLGSK3AGSK3BTP53HBB

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-2022178377-A1 REACTIVE FUNCTIONALIZATION OF CARBON-CARBON BACKBONE POLYMERS AND RELATED COMPOSITIONS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2022-08-25 — — WO disclosed
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