SCHEMBL28477161

SCHEMBL28477161

CCCC1Oc2ccccc2C(=O)C1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
GRM1 Q13255 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL28482576 0.85 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL28902155 0.81 TSHR (0.52) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL6094986 0.79 ALDH1A1 (0.49) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL2197257 0.78 ALDH1A1 (0.68) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL28477163 0.77 ALDH1A1 (0.47) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL28473689 0.77 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL28481083 0.76 NPEPPS (0.47) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL28482819 0.75 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL7538758 0.74 CYP19A1 (0.45) ALDH1A1TDP1MEN1KMT2ACYP1A2
SCHEMBL11385322 0.73 ALDH1A1 (0.40) ALDH1A1KMT2AKAT2A

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