SCHEMBL17825522

SCHEMBL17825522

CCCCCCCOc1ccc(C(=O)NNC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.68
TSHR P16473 1/20 0.68
PLA2G4B P0C869 5/20 0.66
PLK1 P53350 4/20 0.63
RARB P10826 3/20 0.62
PPARG P37231 2/20 0.62
PPARA Q07869 1/20 0.62
LMNA P02545 1/20 0.60
HSP90AA1 P07900 1/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
PLA2G4A P47712 1/20 0.59

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
SCHEMBL11609121 0.94 TP53 (0.71) TP53TSHRPLA2G4BPLK1RARB
SCHEMBL9999802 0.91 PLK1 (0.66) TP53TSHRPLA2G4BPLK1RARB
SCHEMBL6539579 0.87 MAPT (0.64) TP53TSHRPLA2G4BPLK1RARB
SCHEMBL7337735 0.87 MAPT (0.64) TP53TSHRPLA2G4BPLK1RARB
SCHEMBL7339228 0.87 MAPT (0.64) TP53TSHRPLA2G4BPLK1RARB
SCHEMBL28587470 0.86 TP53 (0.64) TP53TSHRPLA2G4BPLK1PPARG
SCHEMBL17825336 0.86 TP53 (0.64) TP53TSHRPLA2G4BPLK1RARB
SCHEMBL10421519 0.86 TP53 (0.60) TP53TSHRPLA2G4BPLK1RARB
SCHEMBL8742513 0.86 ALPI (0.70) TP53TSHRPLA2G4BPLK1PPARG
SCHEMBL7338963 0.85 MAPT (0.66) TP53TSHRPLA2G4BPLK1RARB

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
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 EP disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 WO disclosed