SCHEMBL22449251

SCHEMBL22449251

Cc1ccc(-c2ccc(-c3cnc(-c4ccc(CC(NC(=O)c5ccc(C(C)(C)C)s5)C(=O)O)cc4)nc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 2/20 0.43
▸ MME P08473 7/20 0.42
▸ ACE P12821 5/20 0.42
▸ ACE2 Q9BYF1 5/20 0.42
▸ ITGB1 P05556 5/20 0.41
▸ ITGB3 P05106 3/20 0.41
▸ ITGAV P06756 3/20 0.41
▸ ITGA2B P08514 3/20 0.41
▸ ITGA5 P08648 3/20 0.41
▸ ITGB5 P18084 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ CPA1 P15085 4/20 0.39
▸ ITGA4 P13612 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ PIN1 Q13526 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
SCHEMBL15037329 1.00 KIFC1 (0.43) KIFC1MMEACEACE2ITGB1
SCHEMBL17968745 0.93 KIFC1 (0.43) KIFC1MMEACEACE2ITGB1
SCHEMBL15037392 0.93 KIFC1 (0.43) KIFC1MMEACEACE2ITGB1
SCHEMBL15037324 0.93 MME (0.42) KIFC1MMEACEACE2ITGB1
SCHEMBL15019730 0.93 CA1 (0.44) KIFC1MMEACEACE2ITGB1
SCHEMBL15019733 0.93 CA1 (0.44) KIFC1MMEACEACE2ITGB1
SCHEMBL17834867 0.93 KIFC1 (0.43) KIFC1MMEACEACE2ITGB1
SCHEMBL15037133 0.93 KIFC1 (0.43) KIFC1MMEACEACE2ITGB1
SCHEMBL22449054 0.92 KIFC1 (0.48) KIFC1MMEACEACE2ITGB1
SCHEMBL15037327 0.92 KIFC1 (0.48) KIFC1MMEACEACE2ITGB1

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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