SCHEMBL22010789

SCHEMBL22010789

CC/C=C\C(C)(O)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CYP19A1 P11511 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 1/20 0.30
OXER1 Q8TDS5 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL18187549 0.81 ALDH1A1 (0.39) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL15755865 0.78
SCHEMBL14795247 0.78
SCHEMBL9028492 0.72
SCHEMBL24805416 0.71 ACLY (0.35)
SCHEMBL7559271 0.71
SCHEMBL7559272 0.71
SCHEMBL29134276 0.71
SCHEMBL3812922 0.69
SCHEMBL2277808 0.69

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
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed