SCHEMBL7844518

SCHEMBL7844518

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
RCE1 Q9Y256 2/20 0.39
ALDH3A1 P30838 1/20 0.39
KMT2A Q03164 5/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ALDH2 P05091 1/20 0.38
MAPT P10636 4/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 4/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 2/20 0.33
P4HB P07237 1/20 0.33
GAA P10253 3/20 0.33
TSHR P16473 2/20 0.33
SRD5A1 P18405 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL7844515 1.00 ALDH1A1 (0.39) ALDH1A1RCE1ALDH3A1KMT2APTGDR2
SCHEMBL7845487 0.84 ALDH1A1 (0.37) ALDH1A1RCE1ALDH3A1KMT2APTGDR2
SCHEMBL7845484 0.84 ALDH1A1 (0.37) ALDH1A1RCE1ALDH3A1KMT2APTGDR2
SCHEMBL7852247 0.80 SRD5A1 (0.38) SRD5A1
SCHEMBL7853422 0.77 ALDH1A1 (0.39) ALDH1A1RCE1ALDH3A1KMT2APTGDR2
SCHEMBL7853425 0.77 ALDH1A1 (0.39) ALDH1A1RCE1ALDH3A1KMT2APTGDR2
SCHEMBL7856713 0.76 ALDH1A1 (0.31) ALDH1A1RCE1ALDH3A1PTGDR2ALDH2
SCHEMBL7856715 0.76 ALDH1A1 (0.31) ALDH1A1RCE1ALDH3A1PTGDR2ALDH2
SCHEMBL7855624 0.74 PTGDR2 (0.35) ALDH1A1RCE1ALDH3A1KMT2APTGDR2
SCHEMBL7855623 0.74 PTGDR2 (0.35) ALDH1A1RCE1ALDH3A1KMT2APTGDR2

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