SCHEMBL18007394

SCHEMBL18007394

CCCCCCO[C@@](CCCCCC)(C(=O)O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
GPR84 Q9NQS5 3/20 0.36
FFAR1 O14842 1/20 0.36
PLA2G2C Q5R387 1/20 0.35
CES2 O00748 2/20 0.33
HTT P42858 1/20 0.33
NAAA Q02083 1/20 0.33
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
HCAR2 Q8TDS4 1/20 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
SCHEMBL17820568 1.00 USP2 (0.36) USP2GPR84FFAR1PLA2G2CCES2
SCHEMBL17821128 0.92 GPR84 (0.31) GPR84FFAR1
SCHEMBL18007391 0.92 GPR84 (0.31) GPR84FFAR1
SCHEMBL8935620 0.82 GPR84 (0.40) USP2GPR84FFAR1PLA2G2CCES2
SCHEMBL455822 0.82 GPR84 (0.40) USP2GPR84FFAR1PLA2G2CCES2
SCHEMBL18007397 0.82 CYP2C9 (0.31)
SCHEMBL9753360 0.81 GPR84 (0.37) USP2GPR84FFAR1PLA2G2CCES2
SCHEMBL29061780 0.81 GPR84 (0.37) USP2GPR84FFAR1PLA2G2CCES2
SCHEMBL29061782 0.81 GPR84 (0.37) USP2GPR84FFAR1PLA2G2CCES2
SCHEMBL28892055 0.79 LPAR5 (0.46) LPAR5

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
EP-3258909-B1 2,3,4,5-TETRAHYDROXY ADIPIC ACID ESTERS FROM TETRAHYDROXY ADIPIC ACID DILACTONES BASF SE (DE) 2019-09-25 EP disclosed
EP-3258909-A1 2,3,4,5-TETRAHYDROXY-HEXANEDIOIC ACID ESTERS FROM DI-LACTONES OF 2,3,4,5-TETRAHYDROXY-HEXANEDIOIC ACID BASF SE (DE) 2017-12-27 EP disclosed
WO-2016131672-A1 2,3,4,5-TETRAHYDROXY-HEXANEDIOIC ACID ESTERS FROM DI-LACTONES OF 2,3,4,5-TETRAHYDROXY-HEXANEDIOIC ACID BASF SE (DE) 2016-08-25 WO disclosed