SCHEMBL9825860

SCHEMBL9825860

CCCCCCCC/C=C\CCCCCCC[C@@H](C[C@H](O)CC(=O)OC)OC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
EPHX2 P34913 1/20 0.36
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL9825662 0.91 KDM4E (0.37) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL9825863 0.91 DGKA (0.35) DGKAFFAR1FFAR4
SCHEMBL9457356 0.90 FFAR1 (0.41) DGKAFFAR1FFAR4
SCHEMBL9457411 0.90 FFAR1 (0.41) DGKAFFAR1FFAR4
SCHEMBL9457344 0.90 FFAR1 (0.41) DGKAFFAR1FFAR4
SCHEMBL9457408 0.90 FFAR1 (0.41) DGKAFFAR1FFAR4
SCHEMBL9826321 0.88 MGLL (0.39)
SCHEMBL9827120 0.88 FAAH (0.37)
SCHEMBL9457270 0.88 NFKB1 (0.40) KDM4EALDH1A1TDP1FFAR1FFAR4
SCHEMBL9457278 0.88 NFKB1 (0.40) KDM4EALDH1A1TDP1FFAR1FFAR4

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
EP-0185359-B1 OXETANONE F. HOFFMANN-LA ROCHE AG (CH) 1991-12-04 EP disclosed
EP-0185359-A2 Oxetanone F. HOFFMANN-LA ROCHE AG (CH) 1986-06-25 EP disclosed