SCHEMBL22449211

SCHEMBL22449211

CCc1ccc(C(=O)NC(Cc2ccc(-c3ncc(-c4ccc(C(C)(C)C)cc4)cn3)cc2)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MME P08473 3/20 0.46
▸ ACE P12821 3/20 0.46
▸ ACE2 Q9BYF1 3/20 0.46
▸ PTPN1 P18031 2/20 0.46
▸ PDK1 Q15118 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ PDK3 Q15120 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ GPR132 Q9UNW8 1/20 0.43
▸ CA2 P00918 5/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CPA1 P15085 2/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ KIFC1 Q9BW19 2/20 0.42
▸ CA12 O43570 1/20 0.42

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
SCHEMBL15037055 1.00 L3MBTL1 (0.47) L3MBTL1MMEACEACE2PTPN1
SCHEMBL22449277 0.96 MME (0.49) L3MBTL1MMEACEACE2PTPN1
SCHEMBL15037189 0.96 MME (0.49) L3MBTL1MMEACEACE2PTPN1
SCHEMBL22448948 0.94 MME (0.53) L3MBTL1MMEACEACE2PTPN1
SCHEMBL22449043 0.94 MME (0.53) L3MBTL1MMEACEACE2PTPN1
SCHEMBL15037300 0.94 MME (0.53) L3MBTL1MMEACEACE2PTPN1
SCHEMBL15037188 0.94 MME (0.53) L3MBTL1MMEACEACE2PTPN1
SCHEMBL15037128 0.92 L3MBTL1 (0.48) L3MBTL1MMEACEACE2PTPN1
SCHEMBL15037073 0.92 L3MBTL1 (0.48) L3MBTL1MMEACEACE2PTPN1
SCHEMBL22449248 0.92 PTPN1 (0.46) L3MBTL1MMEACEACE2PTPN1

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
EP-2791112-B1 CARBOXYLIC ACID DERIVATIVES COMPRISING FOUR CYCLES ACTING AS GLP-1 RECEPTOR MODULATORS FOR THERAPY OF DISEASES SUCH AS DIABETES CELGENE INT II SÀRL (CH) 2020-09-23 — — EP disclosed
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