SCHEMBL28486339

SCHEMBL28486339

CCOC(=O)C1C(=O)c2ccc(OC)cc2OC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 3/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 3/20 0.45
POLB P06746 1/20 0.43
PPARG P37231 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL28902155 0.85 TSHR (0.52) ALDH1A1TDP1CYP2C19MAPTCYP3A4
SCHEMBL28478153 0.81 TSHR (0.48) CYP19A1ALDH1A1TDP1CYP2C19SMN1; SMN2
SCHEMBL28480287 0.79 TSHR (0.46) CYP19A1ALDH1A1TDP1CYP2C19MAPT
SCHEMBL28482717 0.79 MEN1 (0.49) CYP19A1ALDH1A1LMNACYP2C19MAPT
SCHEMBL28474714 0.79 TSHR (0.46) CYP19A1ALDH1A1TDP1CYP2C19SMN1; SMN2
SCHEMBL28482819 0.76 ALDH1A1 (0.46) ALDH1A1TDP1CYP2C19MAPTKDM4E
SCHEMBL28480282 0.76 TSHR (0.43) ALDH1A1TDP1CYP2C19CYP3A4SMN1; SMN2
SCHEMBL11555749 0.75 ALDH1A1 (0.72) CYP19A1MAOBALDH1A1TDP1LMNA
SCHEMBL28901090 0.75 ALDH1A1 (0.52) ALDH1A1LMNACYP2C19MAPTKDM4E
SCHEMBL29397268 0.75 CYP19A1 (0.57) CYP19A1MAOBALDH1A1LMNACYP2C19

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-110483221-B Method for synthesizing chromone derivative through PhIO-mediated dehydrogenation reaction 天津大学 2020-07-28 CN disclosed