SCHEMBL29953879

SCHEMBL29953879

CNc1cc(C=O)ccc1OC1CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 1/20 0.42
APP P05067 3/20 0.42
AOX1 Q06278 1/20 0.39
PDE4B Q07343 2/20 0.38
RORC P51449 1/20 0.38
FDPS P14324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRIM24 O15164 1/20 0.36
HPGD P15428 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
POLB P06746 1/20 0.35
TTR P02766 1/20 0.35

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
SCHEMBL29953005 0.88 APP (0.45) ALDH1A1TSHRAPPAOX1PDE4B
SCHEMBL27773256 0.78 APP (0.65) ALDH1A1TSHRAPPAOX1FDPS
SCHEMBL29956100 0.78 KAT2B (0.50) ALDH1A1TSHRAOX1RORCSMN1; SMN2
SCHEMBL13522989 0.78 ALDH1A1 (0.68) ALDH1A1TSHRAOX1PDE4BFDPS
SCHEMBL22713946 0.78 ALDH1A1 (0.68) ALDH1A1TSHRAOX1PDE4BFDPS
SCHEMBL28954258 0.76 RORC (0.37) RORC
SCHEMBL29957120 0.76 ALDH1A1 (0.42) ALDH1A1TSHRAPPAOX1PDE4B
SCHEMBL18519470 0.76 HPGD (0.51) ALDH1A1TSHRAOX1RORCHPGD
SCHEMBL4944263 0.75 ALDH1A1 (0.58) ALDH1A1TSHRPDE4BFDPSSMN1; SMN2
SCHEMBL30780930 0.74 POLB (0.42) PDE4BRORCPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed