SCHEMBL28535866

SCHEMBL28535866

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.65
▸ CA1 P00915 4/20 0.65
▸ CA12 O43570 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ ESRRG P62508 3/20 0.57
▸ PTPN1 P18031 2/20 0.56
▸ ESRRB O95718 1/20 0.56
▸ FOLH1 Q04609 1/20 0.54
▸ CTSL P07711 1/20 0.54
▸ LNPEP Q9UIQ6 1/20 0.53
▸ NAALAD2 Q9Y3Q0 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ KDM4A O75164 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL15019672 1.00 CA2 (0.65) CA2CA1CA12CA9ESRRG
SCHEMBL4054764 0.90 CA2 (0.77) CA2CA1CA12CA9PTPN1
SCHEMBL4054766 0.90 CA2 (0.77) CA2CA1CA12CA9PTPN1
SCHEMBL8671997 0.90 CA2 (0.77) CA2CA1CA12CA9PTPN1
SCHEMBL15037217 0.90 CA2 (0.55) CA2CA1CA12CA9ESRRG
SCHEMBL8165005 0.89 PTPN1 (0.67) CA2CA1CA12CA9PTPN1
SCHEMBL8165003 0.89 PTPN1 (0.67) CA2CA1CA12CA9PTPN1
SCHEMBL6744963 0.88 ACE (0.62) CA2CA1PTPN1ALDH1A1MAPT
SCHEMBL5926142 0.88 ACE (0.62) CA2CA1PTPN1ALDH1A1MAPT
SCHEMBL15037181 0.88 CA1 (0.53) CA2CA1CA12CA9ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074820-B GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-05-18 — — CN disclosed
CN-112457301-A Novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-03-09 — — CN disclosed
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