SCHEMBL8077347

SCHEMBL8077347

C=CC(=O)OCCCOc1ccc(-c2ccc(COc3ccc(C#N)cc3OCc3ccc(-c4ccc(OCCCOC(=O)C=C)cc4)nc3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
MMP2 P08253 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MMP3 P08254 2/20 0.34
CYP11B1 P15538 1/20 0.34
PTGER1 P34995 3/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 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
SCHEMBL8080505 0.98 KDM4E (0.44) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8077341 0.97 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8077367 0.97 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8080558 0.97 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8077327 0.97 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8081986 0.97 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8080525 0.97 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8080490 0.97 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8077314 0.97 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8080446 0.93 KDM4E (0.45) 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