SCHEMBL29129658

SCHEMBL29129658

CCc1ccccc1-c1cc(=O)c2cc(O)c(O)cc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.61
KDM4E B2RXH2 6/20 0.61
MAPT P10636 5/20 0.61
TP53 P04637 4/20 0.61
ALOX15 P16050 4/20 0.61
ALOX12 P18054 3/20 0.61
HSD17B10 Q99714 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CASP7 P55210 2/20 0.61
CYP19A1 P11511 1/20 0.61
CASP1 P29466 1/20 0.61
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
POLB P06746 4/20 0.56
GAA P10253 4/20 0.56
BLM P54132 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
RECQL P46063 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
USP2 O75604 3/20 0.56

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
SCHEMBL29129663 0.87 CYP2C19 (0.68) HPGDKDM4EMAPTTP53ALOX15
SCHEMBL27806529 0.85 HPGD (0.67) HPGDKDM4EMAPTTP53ALOX15
SCHEMBL11035644 0.82 HPGD (0.63) HPGDKDM4EMAPTTP53ALOX15
SCHEMBL27883079 0.81 ALDH1A1 (0.65) HPGDKDM4EMAPTTP53ALOX15
SCHEMBL6241468 0.78 MEN1 (0.74) HPGDKDM4EMAPTTP53ALOX15
SCHEMBL17128869 0.78 ALOX5 (0.45) HPGDKDM4EMAPTTP53MEN1
SCHEMBL29128894 0.77 AR (0.73) HPGDKDM4EMAPTTP53HSD17B10
Flavanone SCHEMBL980197 0.76 TP53 (1.00) HPGDKDM4EMAPTTP53ALOX15
Flavanone SCHEMBL29678059 0.76 TP53 (1.00) HPGDKDM4EMAPTTP53ALOX15
SCHEMBL27997244 0.75 MAPT (0.54) HPGDKDM4EMAPTTP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118078802-A Application of 2- (2-phenethyl) chromone derivative in preparation of medicine for treating lung cancer 南京上元堂沉香生物科技有限公司 2024-05-28 CN disclosed
CN-118078802-A Application of 2- (2-phenethyl) chromone derivative in preparation of medicine for treating lung cancer 南京上元堂沉香生物科技有限公司 2024-05-28 CN disclosed
CN-117250298-A Construction method of liquid fingerprint of agilawood and fingerprint thereof 中国中医科学院中药研究所 2023-12-19 CN disclosed