SCHEMBL22544161

SCHEMBL22544161

OCOCc1ccc(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 4/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ TBXA2R P21731 2/20 0.41
▸ PTGS1 P23219 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ PTGER3 P43115 2/20 0.41
▸ PTGER2 P43116 2/20 0.41
▸ HPD P32754 3/20 0.40
▸ IDO1 P14902 4/20 0.39
▸ AGXT P21549 2/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ TP53 P04637 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ MAPK14 Q16539 1/20 0.36

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
SCHEMBL26030133 0.86 PTGER1 (0.40) PTGER1CYP1A2CYP2C9TBXA2RPTGS1
SCHEMBL29825232 0.78 TP53 (0.41) PTGER1CYP1A2CYP2C9TBXA2RPTGS1
SCHEMBL134961 0.78 TP53 (0.41) PTGER1CYP1A2CYP2C9TBXA2RPTGS1
SCHEMBL14785063 0.77 PTGER1 (0.39) PTGER1CYP1A2CYP2C9TBXA2RPTGS1
SCHEMBL22519887 0.77 HTT (0.43) PTGER1CYP1A2CYP2C9TBXA2RPTGS1
SCHEMBL26420789 0.77 HPD (0.38) PTGER1CYP1A2CYP2C9TBXA2RPTGS1
SCHEMBL6505166 0.77 IDO1 (0.41) PTGER1CYP1A2CYP2C9TBXA2RPTGS1
SCHEMBL6505160 0.77 IDO1 (0.41) PTGER1CYP1A2CYP2C9TBXA2RPTGS1
SCHEMBL22519848 0.75 SLC6A4 (0.43) PTGER1CYP1A2CYP2C9TBXA2RPTGS1
SCHEMBL29434711 0.75 CA2 (0.41) PTGER1CYP1A2CYP2C9TBXA2RPTGS1

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
WO-2020207474-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2020-10-15 — — WO disclosed
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