SCHEMBL6558526

SCHEMBL6558526

CC(O)C(OC(C)(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
ADRA2C P18825 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
ADRA2A P08913 1/20 0.41
HIF1A Q16665 1/20 0.41
RIPK1 Q13546 2/20 0.40
ALDH1A1 P00352 2/20 0.39
AOC3 Q16853 1/20 0.39
CHRM2 P08172 1/20 0.38
ADRA1A P35348 1/20 0.38
RGS12 O14924 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL18980935 0.79 LMNA (0.46) SLC6A4ADRA2CKDM4ELMNAADRA2A
SCHEMBL6560512 0.78 LMNA (0.42) SLC6A4ADRA2CKDM4ELMNAADRA2A
SCHEMBL28313752 0.77 RIPK1 (0.44) SLC6A4ADRA2CKDM4ELMNAADRA2A
SCHEMBL7958881 0.77 THRB (0.53) SLC6A4ADRA2CKDM4ELMNAADRA2A
SCHEMBL6558895 0.77 THRB (0.53) SLC6A4ADRA2CKDM4ELMNAADRA2A
SCHEMBL6560422 0.75 LMNA (0.43) SLC6A4ADRA2CKDM4ELMNAADRA2A
SCHEMBL21976685 0.74 AOC3 (0.39) SLC6A4ADRA2CKDM4ELMNAADRA2A
SCHEMBL11966010 0.74 RIPK1 (0.42) SLC6A4ADRA2CKDM4ELMNAADRA2A
SCHEMBL22959697 0.74 RIPK1 (0.42) SLC6A4ADRA2CKDM4ELMNAADRA2A
SCHEMBL9502842 0.74 RIPK1 (0.42) SLC6A4ADRA2CKDM4ELMNAADRA2A

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