SCHEMBL18709152

SCHEMBL18709152

C=C(C)C(=O)NC(C)(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.35
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 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
Phosphonic Acid SCHEMBL2559975 0.92 TGFBR1 (0.32) TGFBR1
SCHEMBL111595 0.83 TGFBR1 (0.33) TGFBR1
SCHEMBL7615086 0.82 TGFBR1 (0.39) TGFBR1ALDH1A1TDP1KDM4E
SCHEMBL9805999 0.82 EPHX1 (0.40) TGFBR1ALDH1A1TDP1KDM4E
SCHEMBL10381279 0.82 ACHE (0.31)
Hydrochloric Acid SCHEMBL9320130 0.80 ACHE (0.33)
SCHEMBL6233259 0.80 MEN1 (0.33) TGFBR1
SCHEMBL17350285 0.80 TGFBR1 (0.34) TGFBR1ALDH1A1KDM4E
SCHEMBL21087596 0.80
SCHEMBL16356917 0.79 ALDH1A1 (0.31) TGFBR1ALDH1A1

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-2507314-B1 Use of photosensitive oligomers in oxygen scavenging compositions BASF SE (DE) 2017-04-05 EP disclosed