SCHEMBL31154491

SCHEMBL31154491

C=CCn1ccnc1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.39
ESR1 P03372 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
ALPG P10696 1/20 0.31
PLAA Q9Y263 1/20 0.31
ADORA2B P29275 1/20 0.31
ARG1 P05089 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 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
SCHEMBL17669581 0.82 FPR2 (0.52) FPR2ESR1SMN1; SMN2ALPGPLAA
Acetic Acid SCHEMBL14164759 0.81 SMN1; SMN2 (0.34) FPR2ESR1SMN1; SMN2ALPGPLAA
SCHEMBL27978839 0.77 SMN1; SMN2 (0.45) FPR2ESR1SMN1; SMN2ALPGPLAA
SCHEMBL207290 0.77 ADORA2B (0.32) ADORA2B
SCHEMBL28120475 0.76 ESR1 (0.41) FPR2ESR1SMN1; SMN2ALPGPLAA
SCHEMBL28411111 0.76 SMN1; SMN2 (0.37) FPR2ESR1SMN1; SMN2ADORA2BARG1
SCHEMBL7049489 0.76 LMNA (0.41) FPR2ESR1SMN1; SMN2
Sulfurous Acid SCHEMBL17668120 0.75 ADORA2B (0.31) ADORA2B
Bromide SCHEMBL2439099 0.75 ADORA2B (0.31) ADORA2B
Hydrochloric Acid SCHEMBL1805025 0.75 ADORA2B (0.31) ADORA2B

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-118994679-A Method for preparing degradable regenerated cellulose fiber/membrane by dissolving cellulose in liquid polymeric ionic liquid 郑州工业应用技术学院 2024-11-22 CN disclosed