SCHEMBL29198632

SCHEMBL29198632

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.32
CTSS P25774 1/20 0.31
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
SCHEMBL3388819 0.82 TGFBR1 (0.44) TGFBR1RXFP1TSHRALDH1A1TDP1
Urea SCHEMBL1784480 0.77 TGFBR1 (0.40) TGFBR1RXFP1TSHRTDP1
SCHEMBL14397768 0.76 KDM5B (0.35) TSHRALDH1A1CTSS
SCHEMBL2487819 0.75 TGFBR1 (0.50) TGFBR1RXFP1TSHRALDH1A1TDP1
SCHEMBL4044697 0.75
SCHEMBL24333197 0.75 TGFBR1 (0.50) TGFBR1RXFP1TSHRALDH1A1TDP1
SCHEMBL6618896 0.75
SCHEMBL14951 0.75
SCHEMBL2920884 0.75
SCHEMBL1558897 0.75 TGFBR1 (0.43) TGFBR1RXFP1ALDH1A1KDM4E

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
CN-117715947-A Aqueous vinyl polymer dispersion 湛新荷兰有限公司 2024-03-15 CN disclosed