SCHEMBL6560422

SCHEMBL6560422

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ADRA2C P18825 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ADRA2A P08913 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA1A P35348 1/20 0.41
RGS12 O14924 1/20 0.41
GLA P06280 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
CYP2C19 P33261 1/20 0.41

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 0.91 LMNA (0.46) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL13403919 0.82 THRB (0.41) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL13641888 0.82 THRB (0.41) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL10995454 0.80 TRPA1 (0.43) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL7958881 0.80 THRB (0.53) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL6558895 0.80 THRB (0.53) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL9619659 0.78 LMNA (0.43) LMNAADRA2CKDM4EADRA2AHIF1A
Phenyl Ethanol SCHEMBL11023871 0.77 LMNA (0.46) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL6558628 0.76 LMNA (0.44) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL9410650 0.75 HTR2A (0.52) LMNAADRA2CKDM4EALDH1A1CYP3A4

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