SCHEMBL6560720

SCHEMBL6560720

CCCOC(c1ccccc1)C(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ADRA2C P18825 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ADRA2A P08913 1/20 0.42
HIF1A Q16665 1/20 0.42
AOC3 Q16853 4/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CHRM2 P08172 1/20 0.40
ADRA1A P35348 1/20 0.40
RGS12 O14924 1/20 0.40
GLA P06280 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL6558867 0.89 ALDH1A1 (0.44) LMNAKDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL29277742 0.86 HTT (0.43) LMNAKDM4EADRA2AAOC3CYP3A4
SCHEMBL18312620 0.86 HTT (0.43) LMNAKDM4EADRA2AAOC3CYP3A4
SCHEMBL6558951 0.85 LMNA (0.47) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL6559798 0.82 LMNA (0.42) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL29277750 0.79 THRB (0.43) LMNAKDM4EADRA2AAOC3ALDH1A1
SCHEMBL29277747 0.79 THRB (0.43) LMNAKDM4EADRA2AAOC3ALDH1A1
SCHEMBL6558978 0.79 LMNA (0.41) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL1357122 0.79 LMNA (0.48) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL14477614 0.78 CYP19A1 (0.47) LMNAADRA2CKDM4EADRA2AHIF1A

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