SCHEMBL28902155

SCHEMBL28902155

CCOC(=O)C1C(=O)c2ccccc2OC1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 7/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TP53 P04637 1/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RET P07949 1/20 0.43
KDR P35968 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
SCHEMBL28478153 0.88 TSHR (0.48) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL28480287 0.86 TSHR (0.46) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL28474714 0.86 TSHR (0.46) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL28482717 0.86 MEN1 (0.49) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL28482819 0.86 ALDH1A1 (0.46) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL28486339 0.85 CYP19A1 (0.50) TSHRALDH1A1MEN1KMT2ACYP2C19
SCHEMBL28480282 0.83 TSHR (0.43) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL28477163 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL28473689 0.83 ALDH1A1 (0.48) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10655087 0.82 TSHR (0.56) TSHRALDH1A1MEN1KMT2ACYP1A2

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