SCHEMBL31192519

SCHEMBL31192519

COC(=O)c1cc2c(cc1C(=O)OC)C(=O)OC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
CFTR P13569 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.42
CA12 O43570 4/20 0.41
CA7 P43166 4/20 0.41
CA2 P00918 4/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41

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
SCHEMBL21423118 0.84 ALDH1A1 (0.41) KDM4EPOLBATMALDH1A1HPGD
SCHEMBL15765748 0.82 CYP4F2 (0.41) KDM4EPOLBATMALDH1A1HPGD
SCHEMBL1709746 0.82 CHEK1 (0.47) KDM4EPOLBATMALDH1A1HPGD
SCHEMBL24032919 0.81 POLB (0.40) KDM4EPOLBATMALDH1A1HPGD
SCHEMBL16978020 0.80 THRB (0.39) KDM4EPOLBATMALDH1A1HPGD
SCHEMBL2244436 0.79 KMT2A (0.50) KDM4EPOLBATMALDH1A1GABRA1
SCHEMBL8834029 0.77 EGFR (0.52) KDM4EPOLBATMALDH1A1HPGD
SCHEMBL1535306 0.77 CA12 (0.52) KDM4EPOLBATMALDH1A1HPGD
SCHEMBL31634622 0.77 CA12 (0.52) KDM4EPOLBATMALDH1A1HPGD
SCHEMBL829753 0.77 CA12 (0.54) KDM4EPOLBATMALDH1A1HPGD

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-118717845-A Compound dendrobium candidum hypoglycemic composition and preparation method thereof 安徽斛圣康科技有限公司 2024-10-01 CN disclosed