SCHEMBL28596603

SCHEMBL28596603

Cc1ccccc1C1Cc2ccccc2OC1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 3/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 1/20 0.47
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
SIRT1 Q96EB6 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.37
TERT O14746 1/20 0.37

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
SCHEMBL28596601 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL29629334 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL754483 0.81 AR (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2848169 0.81 TP53 (0.42) ALDH1A1MAPTMEN1KMT2AHTR2A
SCHEMBL17985004 0.78 CYP19A1 (0.49) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1711344 0.77 CYP2C9 (0.38) ALDH1A1MAPTSIRT1PPARG
SCHEMBL72984 0.77 SIRT1 (0.48) ALDH1A1KMT2AHPGDSIRT1KDM4E
SCHEMBL27893072 0.77 SIRT1 (0.48) ALDH1A1KMT2AHPGDSIRT1KDM4E
SCHEMBL8927781 0.76 ACHE (0.48) SIRT1PPARG
SCHEMBL29629339 0.76 ACHE (0.48) SIRT1PPARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974825-B Method for preparing 3-substituted chromanone by metal-free catalytic hydrogenation 中国科学院化学研究所 2024-03-05 CN disclosed
CN-115974825-A Method for preparing 3-substituted chromanone through metal-free catalytic hydrogenation 中国科学院化学研究所 2023-04-18 CN disclosed
CN-112898259-B Method for preparing 3-substituted chromanone through nonmetal catalytic hydrogenation 中国科学院化学研究所 2022-05-17 CN disclosed
CN-112898259-A Method for preparing 3-substituted chromanone through nonmetal catalytic hydrogenation 中国科学院化学研究所 2021-06-04 CN disclosed