SCHEMBL28386258

SCHEMBL28386258

O=C(O)C(NCc1ccc(OC(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
MMP12 P39900 2/20 0.51
MMP13 P45452 1/20 0.51
HAT1 O14929 1/20 0.51
EP300 Q09472 1/20 0.51
EPHX2 P34913 3/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
FPR2 P25090 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PLA2G1B P04054 1/20 0.46
MAPT P10636 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LTA4H P09960 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
KDM1A O60341 1/20 0.45
OPRM1 P35372 1/20 0.45
HTR2C P28335 1/20 0.44

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
SCHEMBL2486055 0.82 ATM (0.64) MEN1KMT2AATM
SCHEMBL1696017 0.81 MEN1 (0.59) SMN1; SMN2MEN1KMT2A
SCHEMBL19248981 0.81 MEN1 (0.59) SMN1; SMN2MEN1KMT2A
SCHEMBL27827175 0.81 MEN1 (0.59) SMN1; SMN2MEN1KMT2A
SCHEMBL2485602 0.80 ALDH1A1 (0.50) EPHX1HAT1EP300PLA2G1BATG4B
SCHEMBL16664378 0.80 ALDH1A1 (0.50) EPHX1HAT1EP300PLA2G1BATG4B
Hydrochloric Acid SCHEMBL2484892 0.79 ALDH1A1 (0.49) HAT1EP300PLA2G1BATG4BMEN1
SCHEMBL6243334 0.78 ALDH1A1 (0.55) EPHX2MAPTMEN1KMT2ANR1H4
SCHEMBL11350168 0.77 CYP1A2 (0.56) HAT1EP300SMN1; SMN2MEN1KMT2A
SCHEMBL2485050 0.77 SMN1; SMN2 (0.59) HAT1EP300SMN1; SMN2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111057024-B Sydney ketone and Sydney ketimine compound, and preparation method and application thereof 华东理工大学 2025-02-07 CN disclosed
CN-111057024-A Sydneone and sydneone imine compound and preparation method and application thereof 华东理工大学 2020-04-24 CN disclosed