SCHEMBL28940461

SCHEMBL28940461

O=c1cc(OCC(F)(F)F)oc2cc(Cl)ccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.42
EPHX2 P34913 1/20 0.41
DAO P14920 1/20 0.39
ADCY1 Q08828 1/20 0.38
PRKDC P78527 2/20 0.37
AHR P35869 1/20 0.37
TTR P02766 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL28739759 0.89 ADCY1 (0.51) ADCY1ALDH1A1MAOB
SCHEMBL29627445 0.89 ADCY1 (0.51) ADCY1ALDH1A1MAOB
SCHEMBL28739761 0.83 ALDH1A1 (0.51) AREPHX2ALDH1A1MAOB
SCHEMBL28739774 0.81 CYP3A4 (0.50) ARALDH1A1CA1CA2MAOB
SCHEMBL28739775 0.79 ALDH1A1 (0.50) ARALDH1A1
SCHEMBL28739800 0.76 GABRP (0.49) ALDH1A1MAOAMAOB
SCHEMBL29627450 0.76 GABRP (0.49) ALDH1A1MAOAMAOB
SCHEMBL29627462 0.75 MAPT (0.50) ALDH1A1
SCHEMBL28739805 0.75 GABRP (0.47) ARMAOB
SCHEMBL28739772 0.75 MAPT (0.50) ALDH1A1

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-114560837-B Chromone compound and preparation method and application thereof 五邑大学 2023-11-24 CN disclosed
CN-114560837-A Chromone compound and preparation method and application thereof 五邑大学 2022-05-31 CN disclosed