SCHEMBL23829928

SCHEMBL23829928

COC(=O)C(F)(F)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.36
DGAT1 O75907 1/20 0.33
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNN4 O15554 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
SCHEMBL5528368 0.76 FBP1 (0.37) NPSR1ALDH1A1POLBMAPTRAB9A
SCHEMBL17674169 0.75 CYP2C19 (0.42) CYP2C19NPSR1ALDH1A1POLBDGAT1
SCHEMBL29553375 0.74 LMNA (0.30)
SCHEMBL8412051 0.73 CYP2C19 (0.44) CYP2C19NPSR1ALDH1A1POLBDGAT1
SCHEMBL3950466 0.73 CYP2C19 (0.44) CYP2C19NPSR1ALDH1A1POLBDGAT1
SCHEMBL10574153 0.71 CYP2C19 (0.40) CYP2C19NPSR1ALDH1A1POLBDGAT1
SCHEMBL11576700 0.69
SCHEMBL2123683 0.68 CYP2C19 (0.41) CYP2C19NPSR1ALDH1A1POLBDGAT1
SCHEMBL10418960 0.68 ALDH1A1 (0.45) CYP2C19NPSR1ALDH1A1POLBDGAT1
SCHEMBL517250 0.68 ALDH1A1 (0.45) ALDH1A1DGAT1MAPTRAB9ASMN1; SMN2

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
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed