SCHEMBL25459244

SCHEMBL25459244

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-c7cccc(-c8ccc9oc%10cc(-n%11c%12ccccc%12c%12cc(-c%13ccccc%13)ccc%12%11)ccc%10c9c8)c7)ccc6c45)n3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.33
PLA2G2A P14555 3/20 0.33
PLA2G4A P47712 3/20 0.33
PLA2G10 O15496 1/20 0.33
CHEK2 O96017 1/20 0.32
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
PRKDC P78527 1/20 0.30

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
SCHEMBL25459227 0.99 PTGER4 (0.34) PTGER4PLA2G2APLA2G4APLA2G10CHEK2
SCHEMBL24217180 0.98 PTGER4 (0.34) PTGER4PLA2G2APLA2G4APLA2G10CHEK2
SCHEMBL25954396 0.98 PTGER4 (0.34) PTGER4PLA2G2APLA2G4APLA2G10CHEK2
SCHEMBL25459413 0.97 PTGER4 (0.34) PTGER4PLA2G2APLA2G4APLA2G10CHEK2
SCHEMBL25459245 0.97 PLA2G2A (0.33) PTGER4PLA2G2APLA2G4APLA2G10CHEK2
SCHEMBL25954296 0.97 PLA2G2A (0.32) PTGER4PLA2G2APLA2G4APLA2G10CHEK2
SCHEMBL25117483 0.97 PLA2G2A (0.32) PTGER4PLA2G2APLA2G4APLA2G10CHEK2
SCHEMBL25459214 0.97 PLA2G2A (0.32) PTGER4PLA2G2APLA2G4APLA2G10CHEK2
SCHEMBL24215925 0.97 PTGER4 (0.35) PTGER4PLA2G2APLA2G4APLA2G10MMP12
SCHEMBL21898761 0.97 PTGER4 (0.35) PTGER4PLA2G2APLA2G4APLA2G10MMP12

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
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed