SCHEMBL8082020

SCHEMBL8082020

C=CC(=O)OCCCOc1cnc(-c2ccc(COc3ccc(C#N)cc3OCc3ccc(-c4ncc(OCCCOC(=O)C=C)cn4)cc3)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.41
ALKBH1 Q13686 2/20 0.40
PTGER1 P34995 3/20 0.38
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL8082081 0.98 XDH (0.41) XDHALKBH1PTGER1THRBTDP1
SCHEMBL8067502 0.97 XDH (0.41) XDHALKBH1PTGER1THRBTDP1
SCHEMBL8081983 0.97 XDH (0.41) XDHALKBH1PTGER1THRBTDP1
SCHEMBL8077202 0.97 XDH (0.41) XDHALKBH1PTGER1THRBTDP1
SCHEMBL8081952 0.97 XDH (0.41) XDHALKBH1PTGER1THRBTDP1
SCHEMBL8082110 0.97 XDH (0.41) XDHALKBH1PTGER1THRBTDP1
SCHEMBL8077450 0.97 XDH (0.41) XDHALKBH1PTGER1THRBTDP1
SCHEMBL8080501 0.97 XDH (0.41) XDHALKBH1PTGER1THRBTDP1
SCHEMBL8075562 0.97 XDH (0.41) XDHALKBH1PTGER1THRBTDP1
SCHEMBL8081949 0.90 MMP2 (0.42) PTGER1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755918-B1 Photocrosslinkable liquid crystalline 1,2-phenylene derivatives ROLIC AG (CH) 2000-09-06 EP disclosed
US-5800733-A Photo cross-linkable liquid crystal derivatives ROLIC AG (CH) 1998-09-01 US disclosed
EP-0755918-A2 Photocrosslinkable liquid crystalline 1,2-phenylene derivatives Rolic AG (CH) 1997-01-29 EP disclosed