SCHEMBL8780209

SCHEMBL8780209

CCCCCCCCCCCC(O)CC(OC1CCCCO1)C(CCCCCC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GPR84 Q9NQS5 7/20 0.36
MEN1 O00255 1/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TBXA2R P21731 1/20 0.34
PTGFR P43088 1/20 0.34
PTGER2 P43116 1/20 0.34
PDCD4 Q53EL6 2/20 0.33
FAAH O00519 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
SCHEMBL12446846 1.00 KMT2A (0.39) KMT2AALDH1A1GPR84MEN1FFAR1
SCHEMBL29302793 0.94 KMT2A (0.39) KMT2AALDH1A1GPR84MEN1FFAR1
SCHEMBL9457398 0.82 KMT2A (0.35) KMT2AALDH1A1GPR84MEN1FFAR1
SCHEMBL9457037 0.82 KMT2A (0.35) KMT2AALDH1A1GPR84MEN1FFAR1
SCHEMBL9457337 0.82 KMT2A (0.35) KMT2AALDH1A1GPR84MEN1FFAR1
SCHEMBL9457405 0.82 KMT2A (0.35) KMT2AALDH1A1GPR84MEN1FFAR1
SCHEMBL9457330 0.82 KMT2A (0.35) KMT2AALDH1A1GPR84MEN1FFAR1
SCHEMBL9457326 0.82 KMT2A (0.35) KMT2AALDH1A1GPR84MEN1FFAR1
SCHEMBL9457121 0.82 KMT2A (0.35) KMT2AALDH1A1GPR84MEN1FFAR1
SCHEMBL9457048 0.82 KMT2A (0.35) KMT2AALDH1A1GPR84MEN1FFAR1

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
US-5245056-A PRODUCTION OF OXETANONES HOFFMANN-LA ROCHE INC. (US) 1993-09-14 US claimed
EP-0443449-B1 Process for the preparation of oxetanones HOFFMANN LA ROCHE (CH) 1997-05-21 EP disclosed
US-5399720-A Production of oxetanones HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
US-5245056-A PRODUCTION OF OXETANONES HOFFMANN-LA ROCHE INC. (US) 1993-09-14 US disclosed
EP-0443449-A2 Process for the preparation of oxetanones F. HOFFMANN-LA ROCHE AG (CH) 1991-08-28 EP disclosed