SCHEMBL29120189

SCHEMBL29120189

CC(C)(C)c1ccc2oc(OC(F)C(F)F)cc(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PON1 P27169 1/20 0.42
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 2/20 0.39
STS P08842 1/20 0.36
MAPT P10636 3/20 0.36
GHSR Q92847 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 2/20 0.32
NFKB1 P19838 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL29120210 0.82 MAPT (0.48) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL29120190 0.81 GABRP (0.50) ALDH1A1HPGDKDM4ELMNAGABRP
SCHEMBL29120159 0.80 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL29120178 0.80 GABRP (0.48) MAPTCYP3A4TP53GABRPGABRD
SCHEMBL29120199 0.80 ADCY1 (0.49) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL29120158 0.77 NPC1 (0.45) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL28739766 0.76 PON1 (0.45) PON1ALDH1A1HPGDKDM4ESTS
SCHEMBL29627456 0.76 PON1 (0.45) PON1ALDH1A1HPGDKDM4ESTS
SCHEMBL29120179 0.75 GABRP (0.50) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL29120196 0.74 ALDH1A1 (0.60) ALDH1A1HPGDMAPTHTTCYP3A4

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