SCHEMBL28826474

SCHEMBL28826474

O=[N+]([O-])C[C@H](O)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
SERPINH1 P50454 1/20 0.49
AOC3 Q16853 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
NPC1 O15118 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL27794446 1.00 ALDH1A1 (0.68) ALDH1A1SERPINH1AOC3MEN1POLB
SCHEMBL6782597 1.00 ALDH1A1 (0.68) ALDH1A1SERPINH1AOC3MEN1POLB
SCHEMBL27807830 0.82 ALDH1A1 (0.70) ALDH1A1MEN1POLBKMT2AKDM4E
SCHEMBL27807831 0.82 ALDH1A1 (0.70) ALDH1A1MEN1POLBKMT2AKDM4E
SCHEMBL2461328 0.81 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL2461281 0.81 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4242515 0.81 ALDH1A1 (1.00) ALDH1A1MEN1POLBKMT2AKDM4E
SCHEMBL28826475 0.81 ALDH1A1 (1.00) ALDH1A1MEN1POLBKMT2AKDM4E
SCHEMBL531072 0.81 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACNR1KDM4E
SCHEMBL27846107 0.81 ALDH1A1 (0.68) ALDH1A1AOC3CNR1KDM4ELMNA

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-105481715-A Camphor Schiff base, and preparation method and application thereof UNIV SHAANXI NORMAL 2016-04-13 CN disclosed