SCHEMBL29120210

SCHEMBL29120210

Cc1ccc2oc(OC(F)C(F)F)cc(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KCNA5 P22460 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
CSNK2A2 P19784 2/20 0.45
CSNK2B P67870 2/20 0.45
CSNK2A1 P68400 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABCB1 P08183 1/20 0.41

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
SCHEMBL29120196 0.89 ALDH1A1 (0.60) MAPTHTTALDH1A1HPGDTP53
SCHEMBL29120190 0.84 GABRP (0.50) ALDH1A1HPGDKDM4EABCG2
SCHEMBL29120159 0.83 ALDH1A1 (0.57) MAPTALDH1A1HPGDKDM4ETP53
SCHEMBL29120178 0.83 GABRP (0.48) MAPTTP53CYP3A4MAPK1CSNK2A2
SCHEMBL29120199 0.83 ADCY1 (0.49) MAPTALDH1A1HPGDKDM4ETP53
SCHEMBL29120189 0.82 PON1 (0.42) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL29120158 0.81 NPC1 (0.45) MAPTALDH1A1HPGDKDM4ETP53
SCHEMBL29120179 0.79 GABRP (0.50) MAPTTDP1CSNK2A2CSNK2BCSNK2A1
SCHEMBL7806804 0.79 KCNA5 (0.60) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL13056421 0.75 ALDH1A1 (0.76) MAPTHTTALDH1A1HPGDKDM4E

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