SCHEMBL809344

SCHEMBL809344

O=C(CCCCC(=O)Oc1cccc(O)c1)Oc1cccc(O)c1.O=C(CCCCCCCCC(=O)Oc1cccc(O)c1)Oc1cccc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
CNR1 P21554 2/20 0.50
CNR2 P34972 2/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL689630 1.00 CYP3A4 (0.58) CYP3A4CNR1CNR2PRSS1PRSS2
SCHEMBL688275 1.00 CYP3A4 (0.58) CYP3A4CNR1CNR2PRSS1PRSS2
SCHEMBL689823 0.98 CYP3A4 (0.59) CYP3A4CNR1CNR2PRSS1PRSS2
SCHEMBL17200765 0.94 CYP3A4 (0.51) CYP3A4CNR1CNR2PRSS1PRSS2
SCHEMBL3166149 0.94 CYP3A4 (0.51) CYP3A4CNR1CNR2PRSS1PRSS2
SCHEMBL9716546 0.92 KMT2A (0.56) CYP3A4KMT2AMEN1ALDH1A1MAPK1
SCHEMBL32684489 0.92 KMT2A (0.56) CYP3A4KMT2AMEN1ALDH1A1MAPK1
SCHEMBL9538006 0.92 KMT2A (0.56) CYP3A4KMT2AMEN1ALDH1A1MAPK1
SCHEMBL6139167 0.92 KMT2A (0.56) CYP3A4KMT2AMEN1ALDH1A1MAPK1
SCHEMBL27705782 0.92 CYP3A4 (0.53) CYP3A4CNR1CNR2PRSS1PRSS2

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-9464183-B2 Rubber composition and pneumatic tire using the same BRIDGESTONE CORPORATION (JP) 2016-10-11 US disclosed
EP-1724302-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING SAME BRIDGESTONE CORP (JP) 2011-07-20 EP disclosed
US-20110146886-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING THE SAME BRIDGESTONE CORPORATION (JP) 2011-06-23 US disclosed
US-20080047650-A1 Rubber Composition And Pneumatic Tire Using The Same BRIDGESTONE CORPORATION (JP) 2008-02-28 US disclosed
EP-1724302-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING SAME Bridgestone Corporation (JP) 2006-11-22 EP disclosed