SCHEMBL18562008

SCHEMBL18562008

CCC(CC(C)(C)C(=O)OCCOC(=O)CCCCCO)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CERT1 Q9Y5P4 3/20 0.34
LTA4H P09960 1/20 0.34
LPAR1 Q92633 2/20 0.33
CNR2 P34972 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
SCHEMBL13231096 0.90 DGKA (0.38) DGKACYP4F2CYP4A11TDP1CYP3A4
SCHEMBL17403417 0.87 CHRM2 (0.40) CYP4F2CYP4A11TDP1CYP3A4CYP2D6
SCHEMBL5961381 0.84 RIPK1 (0.40) CYP3A4CYP2D6MEN1KMT2ANPSR1
SCHEMBL5961379 0.82 KDM4E (0.43) CYP3A4CYP2D6MEN1KMT2ANPSR1
SCHEMBL5961384 0.80 TSHR (0.43) CYP2D6MEN1KMT2ANPSR1
SCHEMBL5961385 0.80 TSHR (0.45) TDP1CYP3A4CYP2D6MEN1GAA
SCHEMBL17403421 0.79 CYP1A2 (0.45) CYP2D6MEN1GAAKMT2ANPSR1
SCHEMBL5961389 0.78 KDM4E (0.44) TDP1CYP3A4CYP2D6MEN1GAA
SCHEMBL14168896 0.78 MMP8 (0.39) TDP1CYP3A4CYP2D6GAANPSR1
SCHEMBL5961369 0.77 PIN1 (0.46) CYP2D6MEN1GAAKMT2ANPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170060016-A1 ROLLER FOR IMAGE FORMING APPARATUS SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-03-02 US disclosed