SCHEMBL28478334

SCHEMBL28478334

CC(C)(O)CON1C(C)(C)CC(C(CCCCCCCC(=O)O)C(=O)O)CC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSTK1 Q9Y2Q3 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGFR P43088 1/20 0.30
PTGER2 P43116 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
SCHEMBL27558288 0.91 CYP1A2 (0.32)
SCHEMBL454162 0.88
SCHEMBL27819954 0.86 ALDH1A1 (0.38) GSTK1FFAR4FFAR1ALDH1A1TBXA2R
SCHEMBL454638 0.84
SCHEMBL7717981 0.83
SCHEMBL27839391 0.83 ALDH1A1 (0.35) GSTK1FFAR4FFAR1ALDH1A1TBXA2R
SCHEMBL15826471 0.82 FFAR4 (0.42) FFAR4FFAR1ALDH1A1TBXA2RPTGFR
SCHEMBL9592423 0.82 FFAR4 (0.42) FFAR4FFAR1ALDH1A1TBXA2RPTGFR
SCHEMBL27839351 0.79 FOLH1 (0.39) ALDH1A1PTGFRPTGER2
SCHEMBL756072 0.79 FFAR4 (0.37) GSTK1FFAR4FFAR1ALDH1A1

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-114008163-A Sealing agent for organic EL display element and organic EL display device 三井化学株式会社 2022-02-01 CN disclosed
CN-111886315-A Sealing material for display element, cured product thereof, frame sealing material for organic EL element, and surface sealing material for organic EL element 三井化学株式会社 2020-11-03 CN disclosed