SCHEMBL7856715

SCHEMBL7856715

C=CCc1c(OC2C=CCCC2)ccc2c1CCC(=O)N2CC=Cc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
ALDH3A1 P30838 1/20 0.31
RCE1 Q9Y256 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
ALDH2 P05091 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL7856713 1.00 ALDH1A1 (0.31) ALDH1A1ALDH3A1RCE1ADRB2ADRB1
SCHEMBL7854413 0.83 ADRB2 (0.35) ALDH1A1ALDH3A1RCE1ADRB2ADRB1
SCHEMBL7854414 0.83 ADRB2 (0.35) ALDH1A1ALDH3A1RCE1ADRB2ADRB1
SCHEMBL7845487 0.81 ALDH1A1 (0.37) ALDH1A1ALDH3A1RCE1ADRB2ADRB1
SCHEMBL7845484 0.81 ALDH1A1 (0.37) ALDH1A1ALDH3A1RCE1ADRB2ADRB1
SCHEMBL7844515 0.76 ALDH1A1 (0.39) ALDH1A1ALDH3A1RCE1ALDH2PTGDR2
SCHEMBL7844518 0.76 ALDH1A1 (0.39) ALDH1A1ALDH3A1RCE1ALDH2PTGDR2
SCHEMBL7845766 0.63 ADRB2 (0.36) ALDH1A1ALDH3A1RCE1ADRB2ADRB1
SCHEMBL7845765 0.63 ADRB2 (0.36) ALDH1A1ALDH3A1RCE1ADRB2ADRB1
SCHEMBL7854130 0.63 ADRB2 (0.36) ALDH1A1ALDH3A1RCE1ADRB2ADRB1

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