SCHEMBL8097160

SCHEMBL8097160

CCC(O)C(N)=O.c1cc2ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KIF11 P52732 2/20 0.36
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HPGD P15428 2/20 0.34
PTPN1 P18031 1/20 0.34
LRRK2 Q5S007 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2325910 0.85
SCHEMBL5354435 0.85
SCHEMBL820467 0.85
Methylamine SCHEMBL27403434 0.83 CA1 (0.41) CA1CA2EPHX1
Hydrochloric Acid SCHEMBL2413368 0.83
SCHEMBL8095993 0.79 SMN1; SMN2 (0.42) MAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL3162025 0.74 CYP1A2 (0.43) MAPTCA1CA2ALDH1A1
SCHEMBL29044776 0.73 CES2 (0.44) MAPTSMN1; SMN2TP53HPGDPTPN1
Isobutyramide SCHEMBL3327548 0.72 KIF11 (0.47) SMN1; SMN2L3MBTL1KIF11PTPN1EPHX1
Propionamide SCHEMBL3328187 0.72 SMN1; SMN2 (0.48) MAPTSMN1; SMN2L3MBTL1KIF11TP53

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
EP-0666320-B1 Process for producing alpha-hydroxy acid or alpha-hydroxyamide by microorganisms MITSUBISHI RAYON CO (JP) 2000-12-20 EP disclosed