SCHEMBL28928016

SCHEMBL28928016

[CH2]CCCCc1ccc(Oc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
FFAR4 Q5NUL3 3/20 0.46
PTGS2 P35354 1/20 0.41
FFAR1 O14842 4/20 0.39
AR P10275 1/20 0.39
LTA4H P09960 2/20 0.38
EPHX2 P34913 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
SCN9A Q15858 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL28648476 0.99 NCOA1 (0.53) NCOA1NCOA3FFAR4PTGS2FFAR1
SCHEMBL28656989 0.83 MMP12 (0.46) FFAR1LTA4H
SCHEMBL28665825 0.81 HDAC2 (0.45) FFAR1LTA4H
SCHEMBL5535812 0.81 FFAR1 (0.53) FFAR4FFAR1LTA4HEPHX2
SCHEMBL5539299 0.79 FFAR1 (0.51) FFAR4FFAR1LTA4HEPHX2
SCHEMBL5534679 0.76 FFAR1 (0.55) FFAR4FFAR1LTA4HEPHX2
SCHEMBL6097840 0.75 NCOA1 (0.42) NCOA1NCOA3FFAR4
SCHEMBL9208935 0.75 NCOA1 (0.75) NCOA1NCOA3FFAR4PTGS2FFAR1
SCHEMBL5541710 0.75 HDAC2 (0.51) FFAR1
SCHEMBL1958156 0.75 NCOA1 (0.74) NCOA1NCOA3FFAR4PTGS2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115038730-A Resin composition for stereolithography 可乐丽则武齿科株式会社 2022-09-09 CN disclosed
CN-114828803-A Dental restorative composition 可乐丽则武齿科株式会社 2022-07-29 CN disclosed
CN-113677293-A Curable composition for dental repair 可乐丽则武齿科株式会社 2021-11-19 CN disclosed