SCHEMBL9845208

SCHEMBL9845208

C=C(C)C(=O)NOC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.38
TGFBR1 P36897 1/20 0.36
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL27680455 0.90 ALDH1A1 (0.42) ALDH1A1TDP1TGFBR1RXFP1KDM4E
SCHEMBL27851518 0.80 ALDH1A1 (0.48) ALDH1A1TDP1TGFBR1RXFP1KDM4E
SCHEMBL9846986 0.80 ALDH1A1 (0.42) ALDH1A1TDP1TGFBR1RXFP1KDM4E
SCHEMBL503294 0.78 ALDH1A1 (0.52) ALDH1A1TDP1TGFBR1RXFP1KDM4E
SCHEMBL8981771 0.78 ALDH1A1 (0.52) ALDH1A1TDP1TGFBR1RXFP1KDM4E
SCHEMBL28077404 0.78 TDP1 (0.46) ALDH1A1TDP1TGFBR1RXFP1KDM4E
SCHEMBL5830371 0.78 ALDH1A1 (0.40) ALDH1A1TDP1TGFBR1RXFP1KDM4E
SCHEMBL239344 0.77
Acetone SCHEMBL27591806 0.76 ALDH1A1 (0.50) ALDH1A1TDP1TGFBR1KDM4ETSHR
SCHEMBL8973234 0.76 TSHR (0.36) ALDH1A1TDP1TGFBR1RXFP1TSHR

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
EP-0441187-A2 Use of (meth)acryloylaminoalkylesters of carboxylic acids as adhesive components for the treatment of collagen containing materials BAYER AG (DE) 1991-08-14 EP disclosed