SCHEMBL30463192

SCHEMBL30463192

COC(OC)c1c2ccccc2cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 3/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP1A2 P05177 5/20 0.39
CYP2A6 P11509 2/20 0.39
HTR2A P28223 1/20 0.39
NQO1 P15559 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 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
SCHEMBL4647163 1.00 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4645851 0.81 NR2E1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL29853856 0.81 NR2E1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL6559427 0.77 POLB (0.55) ALDH1A1HSD17B10HIF1ACYP1A2HPGD
SCHEMBL8738086 0.75 TRPM4 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4647200 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP1A2HPGDKDM4E
SCHEMBL40806 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL28369704 0.74 NQO1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL6392222 0.74 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP1A2HPGDKDM4E
SCHEMBL16406570 0.74 CYP1A2 (0.40) ALDH1A1HSD17B10CYP1A2CYP2A6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116199728-B Galactose diselenide fluorescent probe and preparation method and application thereof 南京工业大学 2023-09-19 CN claimed
CN-116199728-A Galactose diselenide fluorescent probe and preparation method and application thereof 南京工业大学 2023-06-02 CN claimed
CN-116199728-B Galactose diselenide fluorescent probe and preparation method and application thereof 南京工业大学 2023-09-19 CN disclosed
CN-116199728-B Galactose diselenide fluorescent probe and preparation method and application thereof 南京工业大学 2023-09-19 CN disclosed
CN-116199728-A Galactose diselenide fluorescent probe and preparation method and application thereof 南京工业大学 2023-06-02 CN disclosed
CN-116199728-A Galactose diselenide fluorescent probe and preparation method and application thereof 南京工业大学 2023-06-02 CN disclosed