SCHEMBL28467655

SCHEMBL28467655

[CH2]C(=CCC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
GLO1 Q04760 1/20 0.43
ALDH1A1 P00352 6/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
CYP2C9 P11712 2/20 0.36
HCAR2 Q8TDS4 1/20 0.35
MAPT P10636 3/20 0.35

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
SCHEMBL7586064 1.00 NPSR1 (0.43) NPSR1GLO1ALDH1A1TSHRLMNA
SCHEMBL7586059 1.00 NPSR1 (0.43) NPSR1GLO1ALDH1A1TSHRLMNA
SCHEMBL8013677 0.81
SCHEMBL43053 0.81
SCHEMBL43052 0.81
SCHEMBL149362 0.79 TSHR (0.52) ALDH1A1TSHRSMN1; SMN2
SCHEMBL8509099 0.79 TSHR (0.50) NPSR1ALDH1A1TSHRLMNACYP2D6
SCHEMBL41974 0.79 TSHR (0.52) ALDH1A1TSHRSMN1; SMN2
SCHEMBL7190576 0.79 TSHR (0.52) ALDH1A1TSHRSMN1; SMN2
SCHEMBL13269641 0.76 NPSR1 (0.58) NPSR1GLO1ALDH1A1TSHRLMNA

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-111295373-A Compositions and methods for treating brain injury 阿泽凡药物公司 2020-06-16 CN disclosed