SCHEMBL28517982

SCHEMBL28517982

C=C(OC1CC=CC1)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.37
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
CASP1 P29466 1/20 0.32
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
EGLN1 Q9GZT9 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
SCHEMBL28514462 0.89 ALDH1A1 (0.34) ALDH1A1TSHRMAPTPOLBMEN1
SCHEMBL28992582 0.80 NAAA (0.46) ALDH1A1TSHRMAPTKMT2ASMN1; SMN2
SCHEMBL317579 0.79 NAAA (0.47) ALDH1A1TSHRMAPTPOLBSMN1; SMN2
SCHEMBL28512304 0.76 ALDH1A1 (0.34) ALDH1A1TSHRMAPT
SCHEMBL11846467 0.73 GAA (0.43) ALDH1A1TSHRMAPTPOLBMEN1
SCHEMBL28514361 0.73 ALDH1A1 (0.40) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL11844916 0.72 ALDH1A1 (0.34) ALDH1A1TSHRMAPTKMT2AGAA
SCHEMBL197959 0.72
SCHEMBL94679 0.71 ALDH1A1 (0.54) ALDH1A1TSHRMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL27667582 0.69 ALDH1A1 (0.52) ALDH1A1TSHRMAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112292100-A Composition with high reaction index and high dispersion coefficient 强生外科视力公司 2021-01-29 CN claimed
CN-112292100-A Composition with high reaction index and high dispersion coefficient 强生外科视力公司 2021-01-29 CN disclosed