SCHEMBL28909576

SCHEMBL28909576

CCNCC(COCc1ccccc1)OC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 1/20 0.43
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ ALOX5 P09917 1/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ TACR1 P25103 2/20 0.38
▸ CETP P11597 2/20 0.38

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
SCHEMBL28909574 1.00 SLC1A1 (0.43) SLC1A1APOBEC3AAPOBEC3GALOX5CA1
SCHEMBL28538138 0.80 SLC1A1 (0.49) SLC1A1APOBEC3AAPOBEC3GCA1CA2
SCHEMBL14763554 0.80 SLC1A1 (0.49) SLC1A1APOBEC3AAPOBEC3GCA1CA2
SCHEMBL28538137 0.80 SLC1A1 (0.49) SLC1A1APOBEC3AAPOBEC3GCA1CA2
SCHEMBL14763553 0.80 SLC1A1 (0.49) SLC1A1APOBEC3AAPOBEC3GCA1CA2
SCHEMBL23608226 0.76 TACR1 (0.50) SLC1A1CA1CA2CA7CA9
SCHEMBL23200551 0.76 CNR1 (0.45) SLC1A1CA1CA2CA7CA9
SCHEMBL23200554 0.76 CNR1 (0.45) SLC1A1CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL23200831 0.75 TACR1 (0.49) SLC1A1CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL23200830 0.75 TACR1 (0.49) SLC1A1CA1CA2CA7CA9

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-112469725-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2021-03-09 — — CN disclosed
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