SCHEMBL28529600

SCHEMBL28529600

COc1cc2ncnc(-c3cc(OCc4ccccc4)c(OC)cc3/C=C/C(=O)O)c2cc1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.49
PTGER2 P43116 7/20 0.49
EGFR P00533 6/20 0.48
PTGER3 P43115 6/20 0.47
PTGER1 P34995 3/20 0.44
HDAC8 Q9BY41 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
KDM1A O60341 1/20 0.42
IRAK1 P51617 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
APP P05067 2/20 0.41

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
SCHEMBL28522018 0.83 EGFR (0.56) PTGER4PTGER2EGFR
SCHEMBL28521215 0.77 EGFR (0.54) PTGER4PTGER2EGFRPTGER3
SCHEMBL17821579 0.75 PTGER4 (0.64) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL17821580 0.75 PTGER4 (0.64) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL17821791 0.74 PTGER4 (0.62) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL17821551 0.74 PTGER4 (0.62) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL22555973 0.74 PTGER4 (0.62) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL17821793 0.74 PTGER4 (0.62) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL28522610 0.74 PTGER4 (0.62) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL28908592 0.74 PTGER4 (0.62) PTGER4PTGER2PTGER3PTGER1HDAC8

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
CN-111808031-B Ferulic acid derivative and preparation method and application thereof 湖南中医药大学 2022-01-14 CN disclosed
CN-111808031-A Ferulic acid derivative and preparation method and application thereof 湖南中医药大学 2020-10-23 CN disclosed