SCHEMBL22449271

SCHEMBL22449271

CCc1ccc(C(=O)NC(Cc2ccc(-c3ncc(-c4ccc(C(C)(C)C)cc4)cn3)cc2)C(=O)O)s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 2/20 0.44
▸ MME P08473 6/20 0.41
▸ ACE P12821 4/20 0.41
▸ ACE2 Q9BYF1 4/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ ITGA4 P13612 5/20 0.40
▸ ITGB7 P26010 5/20 0.40
▸ DGAT1 O75907 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ CPA1 P15085 3/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ITGB1 P05556 4/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ ITGA5 P08648 1/20 0.38
▸ ITGB5 P18084 1/20 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
SCHEMBL15037185 1.00 KIFC1 (0.44) KIFC1MMEACEACE2MCL1
SCHEMBL15037392 0.89 KIFC1 (0.43) KIFC1MMEACEACE2MCL1
SCHEMBL17968745 0.89 KIFC1 (0.43) KIFC1MMEACEACE2MCL1
SCHEMBL15037133 0.89 KIFC1 (0.43) KIFC1MMEACEACE2MCL1
SCHEMBL17834867 0.89 KIFC1 (0.43) KIFC1MMEACEACE2MCL1
SCHEMBL22756167 0.87 KDM4E (0.38) MMEDGAT1KDM4EGRIN2C
SCHEMBL17459538 0.86 ITGA4 (0.42) KIFC1MMEACEACE2ITGA4
SCHEMBL17459539 0.86 ITGA4 (0.42) KIFC1MMEACEACE2ITGA4
SCHEMBL22449211 0.86 L3MBTL1 (0.47) KIFC1MMEACEACE2ITGA4
SCHEMBL15037055 0.86 L3MBTL1 (0.47) KIFC1MMEACEACE2ITGA4

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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