SCHEMBL28283770

SCHEMBL28283770

CCC(C)n1ccnc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HCAR3 P49019 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ACHE P22303 3/20 0.33
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL28285367 0.84 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL1431164 0.82 SMN1; SMN2 (0.40) SMN1; SMN2HCAR3FPR2OPRD1OPRK1
SCHEMBL30554004 0.81 KDM4E (0.42) SMN1; SMN2FPR2KDM4EOPRD1OPRK1
SCHEMBL28416467 0.79 FPR2 (0.43) SMN1; SMN2HCAR3FPR2KDM4E
SCHEMBL28415000 0.78 FPR2 (0.48) SMN1; SMN2L3MBTL1FPR2KDM4EOPRD1
SCHEMBL28935871 0.76 KDM4C (0.46) SMN1; SMN2KDM4EOPRD1OPRK1
SCHEMBL28381059 0.76 MC4R (0.34) SMN1; SMN2HCAR3L3MBTL1ADORA2AADORA2B
SCHEMBL28182708 0.74 PTGS2 (0.34) SMN1; SMN2
SCHEMBL28705125 0.73 ALDH1A1 (0.51) KDM4EOPRD1OPRK1
SCHEMBL23458277 0.73 CYP26A1 (0.32) SMN1; SMN2HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111187218-B Application of 1-substituted-1H-imidazole-2-carboxylic acid compound in preparation of metal beta-lactamase inhibitor 四川大学 2023-08-04 — — CN disclosed
CN-111253317-B 1-substituted-1H-imidazole-2-carboxylic acid compound 四川大学 2023-08-04 — — CN disclosed
CN-111253317-A 1-substituted-1H-imidazole-2-carboxylic acid compound 四川大学 2020-06-09 — — CN disclosed
CN-111187218-A Application of 1-substituted-1H-imidazole-2-carboxylic acid compounds in preparation of metal β -lactamase inhibitor 四川大学 2020-05-22 — — CN disclosed
CN-109563050-A Amide salt compound, for the catalyst of polyurethane production and the production method of polyurethane resin 广荣化学工业株式会社 2019-04-02 — — CN disclosed
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