SCHEMBL21552032

SCHEMBL21552032

O=C(O)C=CC(O)C(O)CCCCCCCCCCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PTPN1 P18031 2/20 0.36
SLC15A1 P46059 1/20 0.36
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32

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
SCHEMBL1506635 1.00 FPR2 (0.39) FPR2NFKB1NFKB2RELAPTPN1
SCHEMBL27766971 0.92 FFAR1 (0.35) FPR2NFKB1NFKB2RELAPTPN1
SCHEMBL15287222 0.89 SLC15A1 (0.34) FPR2NFKB1NFKB2RELAPTPN1
SCHEMBL2228459 0.88 ACHE (0.46) FPR2NFKB1NFKB2RELAPTPN1
SCHEMBL4566258 0.86 FPR2 (0.48) FPR2NFKB1NFKB2RELAACHE
SCHEMBL28080055 0.86 FPR2 (0.48) FPR2NFKB1NFKB2RELAACHE
SCHEMBL28337081 0.82 FPR2 (0.34) FPR2NFKB1NFKB2RELAPTPN1
SCHEMBL1015737 0.81 FPR2 (0.56) FPR2NFKB1NFKB2RELAACHE
SCHEMBL1015738 0.81 FPR2 (0.56) FPR2NFKB1NFKB2RELAACHE
SCHEMBL15287182 0.81 ACHE (0.49) PTPN1ACHEBACE1GPR84FFAR1

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
EP-3810778-A1 MULTIFUNCTIONAL FATTY ACID DERIVATIVES AND BIOSYNTHESIS THEREOF Genomatica, Inc. (US) 2021-04-28 EP claimed
WO-2019217226-A1 MULTIFUNCTIONAL FATTY ACID DERIVATIVES AND BIOSYNTHESIS THEREOF REG Life Sciences, LLC (US) 2019-11-14 WO claimed
US-20210189439-A1 Multifunctional Fatty Acid Derivatives And Biosynthesis Thereof GENOMATICA, INC. (US) 2021-06-24 US disclosed
EP-3810778-A1 MULTIFUNCTIONAL FATTY ACID DERIVATIVES AND BIOSYNTHESIS THEREOF Genomatica, Inc. (US) 2021-04-28 EP disclosed
WO-2019217226-A1 MULTIFUNCTIONAL FATTY ACID DERIVATIVES AND BIOSYNTHESIS THEREOF REG Life Sciences, LLC (US) 2019-11-14 WO disclosed