SCHEMBL6558950

SCHEMBL6558950

CCOC(c1ccccc1)C(C)OCC(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
HIF1A Q16665 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 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
SCHEMBL6559798 0.87 LMNA (0.42) LMNAALDH1A1KDM4EADRA2AADRA2C
SCHEMBL6559691 0.87 LMNA (0.44) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL6558908 0.85 LMNA (0.46) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL6558980 0.84 LMNA (0.40) LMNAPOLBALDH1A1KDM4E
SCHEMBL6558628 0.83 LMNA (0.44) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL11834783 0.81 LMNA (0.42) LMNAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL6560512 0.81 LMNA (0.42) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL6558951 0.80 LMNA (0.47) LMNAPOLBL3MBTL1ALDH1A1PPARG
SCHEMBL17395998 0.79 LMNA (0.50) LMNAPOLBL3MBTL1ALDH1A1MEN1
SCHEMBL15214945 0.79 LMNA (0.50) LMNAALDH1A1MEN1KMT2AKDM4E

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-0735403-B1 Liquid crystal orienting agent JSR CORP (JP) 2004-03-17 EP disclosed
US-5700860-A Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-12-23 US disclosed
EP-0735403-A1 Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-10-02 EP disclosed