SCHEMBL251619

SCHEMBL251619

CCCCCCCCCCCCCCCCCC(=O)OCCOc1ccc(-c2c(O)oc3c(C(C)(C)C)cc(C(C)(C)C)cc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.38
DGKA P23743 1/20 0.38
ALDH2 P05091 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
RARB P10826 3/20 0.36
CNR1 P21554 5/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 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
SCHEMBL7562130 0.83 ALDH2 (0.45) CNR2DGKAALDH2MAOAMAOB
SCHEMBL39389 0.71 DGKA (0.37) CNR2DGKAALDH2MAOAMAOB
SCHEMBL21176407 0.71 DGKA (0.37) CNR2DGKAALDH2MAOAMAOB
SCHEMBL6907103 0.70 GABBR2 (0.38) CNR2DGKAS1PR4S1PR1S1PR3
SCHEMBL2022275 0.70 DGKA (0.50) CNR2DGKACNR1
SCHEMBL23726382 0.67 L3MBTL1 (0.60) DGKARARB
SCHEMBL5351714 0.66 DGKA (0.66) DGKA
SCHEMBL11713345 0.66 DGKA (0.66) DGKA
SCHEMBL5350282 0.66 DGKA (0.66) DGKA
SCHEMBL3230032 0.66 DGKA (0.66) DGKA

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-2588520-A1 PROCESS FOR IMPROVING THE FLOW PROPERTIES OF POLYMER MELTS BASF SE (DE) 2013-05-08 EP disclosed
WO-2012000992-A1 PROCESS FOR IMPROVING THE FLOW PROPERTIES OF POLYMER MELTS BASF SE (DE) 2012-01-05 WO disclosed