SCHEMBL6558978

SCHEMBL6558978

CC(C)COC(c1ccccc1)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
AOC3 Q16853 1/20 0.41
ADRA2C P18825 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ADRA2A P08913 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASR P41180 1/20 0.38
CYP3A4 P08684 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA1A P35348 1/20 0.37
RGS12 O14924 1/20 0.37
GLA P06280 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6558951 0.82 LMNA (0.47) LMNAAOC3ADRA2CKDM4EADRA2A
SCHEMBL6559691 0.82 LMNA (0.44) LMNAAOC3ADRA2CKDM4EADRA2A
SCHEMBL27594658 0.80 ALDH1A1 (0.43) LMNAALDH1A1TSHRKMT2ACYP3A4
SCHEMBL19798765 0.80 LMNA (0.44) LMNAAOC3ADRA2CKDM4EADRA2A
SCHEMBL14477614 0.79 CYP19A1 (0.47) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL6560720 0.79 LMNA (0.44) LMNAAOC3ADRA2CKDM4EADRA2A
SCHEMBL18980935 0.77 LMNA (0.46) LMNAAOC3ADRA2CKDM4EADRA2A
SCHEMBL6558867 0.77 ALDH1A1 (0.44) LMNAKDM4EALDH1A1TSHRCYP3A4
SCHEMBL7153048 0.77 MEN1 (0.43) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL7958881 0.75 THRB (0.53) LMNAAOC3ADRA2CKDM4EADRA2A

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