SCHEMBL8080446

SCHEMBL8080446

C=CC(=O)OCCCCCCCCOc1ccc(-c2ccc(COc3ccc(C#N)cc3OCc3ccc(-c4ccc(OCCCCCCCCOC(=O)C=C)cn4)cc3)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
PTGER1 P34995 3/20 0.37
MMP3 P08254 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALKBH1 Q13686 1/20 0.35
LRRK2 Q5S007 1/20 0.35
XDH P47989 4/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL8077314 0.96 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8080525 0.96 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8077367 0.96 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8081986 0.96 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8077327 0.96 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8080558 0.96 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8077341 0.96 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8080490 0.96 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8080505 0.95 KDM4E (0.44) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8077347 0.93 KDM4E (0.42) KDM4EALDH1A1HPGDHTTL3MBTL1

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