SCHEMBL28633267

SCHEMBL28633267

C=C/C=C\CCCCC(O)CCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
PPARG P37231 3/20 0.39
GPR132 Q9UNW8 1/20 0.39
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
PTGS1 P23219 1/20 0.35
OPRK1 P41145 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
FAAH O00519 3/20 0.35
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FASN P49327 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL8332552 1.00 FFAR1 (0.40) FFAR1FFAR4PPARGGPR132CYP3A4
SCHEMBL8332550 1.00 FFAR1 (0.40) FFAR1FFAR4PPARGGPR132CYP3A4
SCHEMBL29125650 0.98 FFAR1 (0.42) FFAR1FFAR4PPARGGPR132CYP3A4
SCHEMBL5525726 0.98 FFAR1 (0.42) FFAR1FFAR4PPARGGPR132CYP3A4
SCHEMBL28844248 0.98 FFAR1 (0.42) FFAR1FFAR4PPARGGPR132CYP3A4
SCHEMBL30853126 0.98 FFAR1 (0.42) FFAR1FFAR4PPARGGPR132CYP3A4
SCHEMBL20503621 0.98 FFAR1 (0.42) FFAR1FFAR4PPARGGPR132CYP3A4
SCHEMBL30501384 0.98 FFAR1 (0.42) FFAR1FFAR4PPARGGPR132CYP3A4
SCHEMBL6409120 0.93 PPARG (0.40) FFAR1FFAR4PPARGGPR132CYP3A4
SCHEMBL6130440 0.93 PPARG (0.40) FFAR1FFAR4PPARGGPR132CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113480428-B Method for preparing trans-7, cis-9-dodecadieneacetic ester 中捷四方生物科技股份有限公司 2022-02-15 CN claimed
CN-113480428-A Method for preparing trans-7, cis-9-dodecadieneacetic ester 中捷四方生物科技股份有限公司 2021-10-08 CN claimed
CN-113480428-B Method for preparing trans-7, cis-9-dodecadieneacetic ester 中捷四方生物科技股份有限公司 2022-02-15 CN disclosed
CN-113480428-A Method for preparing trans-7, cis-9-dodecadieneacetic ester 中捷四方生物科技股份有限公司 2021-10-08 CN disclosed