SCHEMBL28698296

SCHEMBL28698296

C=C(C)C(=O)ON(CC)C(=O)NCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.39
ALDH1A1 P00352 4/20 0.35
THRB P10828 1/20 0.32
CTH P32929 1/20 0.32
TSHR P16473 3/20 0.31
FAAH O00519 1/20 0.30
CYP2D6 P10635 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PTGS2 P35354 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28985846 0.84 ALDH1A1 (0.33) ALDH1A1THRB
SCHEMBL28687581 0.82 ADRA1A (0.39) MAPT
SCHEMBL28985883 0.78 ALDH1A1 (0.33) ALDH1A1THRB
SCHEMBL293594 0.77 ALDH1A1 (0.39) ALDH1A1THRBTSHR
SCHEMBL28677646 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8823536 0.74 ALDH1A1 (0.37) ALDH1A1THRBTSHR
SCHEMBL28691574 0.74 TGFBR1 (0.38) ALDH1A1THRBTSHRSMN1; SMN2MAPT
SCHEMBL28612629 0.74 LPAR1 (0.36) ALDH1A1
SCHEMBL28985865 0.74 EPHX2 (0.35) ALDH1A1
SCHEMBL2946748 0.73 ALDH1A1 (0.39) ALDH1A1THRBTSHR

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-109689189-B Functionalized copolymers and uses thereof 3M创新有限公司 2022-02-01 CN disclosed