SCHEMBL8939346

SCHEMBL8939346

CCCC(C#N)CCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.49
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
LTA4H P09960 2/20 0.46
RAB9A P51151 3/20 0.46
MAPK1 P28482 1/20 0.46
CYP2D6 P10635 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP19A1 P11511 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44

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
SCHEMBL6024662 0.94 ALOX5 (0.53) LSSPTGESALOX5PPARGPPARA
SCHEMBL8939312 0.93 LTA4H (0.50) LSSPTGESALOX5PPARGPPARA
SCHEMBL8939325 0.92 KDM4E (0.50) LSSPTGESALOX5PPARGPPARA
SCHEMBL8939329 0.92 KDM4E (0.50) LSSPTGESALOX5PPARGPPARA
SCHEMBL8939349 0.92 KDM4E (0.50) LSSPTGESALOX5PPARGPPARA
SCHEMBL8939352 0.90 LSS (0.50) LSSPTGESALOX5PPARGPPARA
SCHEMBL8939326 0.82 LSS (0.51) LSSPTGESALOX5PPARGPPARA
SCHEMBL8939310 0.79 FDFT1 (0.48)
SCHEMBL5551477 0.79 LTA4H (0.70) LSSPTGESALOX5PPARGPPARA
SCHEMBL9158869 0.79 LTA4H (0.70) LSSPTGESALOX5PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118235072-A Optical film and polarizing plate 东曹株式会社 2024-06-21 CN disclosed
CN-117157337-A Fumaric acid diester resin, film and polarizing plate 东曹株式会社 2023-12-01 CN disclosed
US-5498363-A Electrorheological fluid AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1996-03-12 US disclosed
US-4536320-A Nematic liquid crystalline composition MITSUI TOATSU CHEMICALS, INC. (JP) 1985-08-20 US disclosed
US-4304683-A Composition for liquid crystal color display element MITSUI TOATSU CHEMICALS, INC. (JP) 1981-12-08 US disclosed