SCHEMBL30021781

SCHEMBL30021781

O=C(O)Cc1ccc(-c2cccc(OCc3ccc(Cl)cc3F)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.46
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 2/20 0.45
TBXA2R P21731 2/20 0.45
PTGS1 P23219 2/20 0.45
PTGER3 P43115 2/20 0.45
PTGER2 P43116 2/20 0.45
GLP1R P43220 12/20 0.45
FFAR1 O14842 1/20 0.44
CYP3A4 P08684 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
SCHEMBL23767752 1.00 PTGER1 (0.46) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R
SCHEMBL25198298 0.92 PTGER1 (0.46) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R
SCHEMBL29608428 0.91 PTGER1 (0.46) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R
SCHEMBL24900032 0.91 PTGER1 (0.46) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R
SCHEMBL25203119 0.89 PTGER1 (0.44) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R
SCHEMBL30020671 0.89 PTGER1 (0.49) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R
SCHEMBL23481374 0.89 PTGER1 (0.49) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R
SCHEMBL25734582 0.88 PTGER1 (0.44) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R
SCHEMBL28935413 0.87 PTGER1 (0.42) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R
SCHEMBL24900227 0.87 PTGER1 (0.48) PTGER1CYP2C9CYP2C19CYP1A2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279750-B GLP-1 receptor agonist, pharmaceutical composition containing same and preparation method thereof 株式会社LG化学 2024-06-21 CN disclosed
CN-115697999-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-02-03 CN disclosed
EP-4103563-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2022-12-21 EP disclosed
CN-115279750-A GLP-1 receptor agonist, pharmaceutical composition containing same and preparation method thereof 株式会社LG化学 2022-11-01 CN disclosed