SCHEMBL7845765

SCHEMBL7845765

C=CCc1cc2c(cc1OC/C=C/c1ccccc1)CCC(=O)N2C/C=C/c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
ALDH1A1 P00352 4/20 0.36
ALDH3A1 P30838 1/20 0.36
RCE1 Q9Y256 1/20 0.36
ALDH2 P05091 1/20 0.35
MAPT P10636 4/20 0.34
GAA P10253 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7845766 1.00 ADRB2 (0.36) ADRB2ADRB1ADRB3ALDH1A1ALDH3A1
SCHEMBL7854130 0.96 ADRB2 (0.36) ADRB2ADRB1ADRB3ALDH1A1ALDH3A1
SCHEMBL7854133 0.96 ADRB2 (0.36) ADRB2ADRB1ADRB3ALDH1A1ALDH3A1
SCHEMBL7853425 0.84 ALDH1A1 (0.39) ADRB2ADRB1ADRB3ALDH1A1ALDH3A1
SCHEMBL7853422 0.84 ALDH1A1 (0.39) ADRB2ADRB1ADRB3ALDH1A1ALDH3A1
SCHEMBL7854414 0.81 ADRB2 (0.35) ADRB2ADRB1ADRB3ALDH1A1ALDH3A1
SCHEMBL7854413 0.81 ADRB2 (0.35) ADRB2ADRB1ADRB3ALDH1A1ALDH3A1
SCHEMBL7845487 0.80 ALDH1A1 (0.37) ADRB2ADRB1ADRB3ALDH1A1ALDH3A1
SCHEMBL7845484 0.80 ALDH1A1 (0.37) ADRB2ADRB1ADRB3ALDH1A1ALDH3A1
SCHEMBL7845919 0.78 ALDH1A1 (0.42) ALDH1A1ALDH3A1RCE1ALDH2PTGDR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed