SCHEMBL30577296

SCHEMBL30577296

COCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREB1 P16220 5/20 0.69
FLT3 P36888 4/20 0.69
SLCO2B1 O94956 1/20 0.69
PRSS1 P07477 1/20 0.69
PRSS2 P07478 1/20 0.69
PRSS3 P35030 1/20 0.69
PTPRS Q13332 1/20 0.67
MAPT P10636 5/20 0.65
ABCB1 P08183 4/20 0.65
POLB P06746 4/20 0.65
KDM4E B2RXH2 3/20 0.65
ABCG2 Q9UNQ0 3/20 0.65
ADORA3 P0DMS8 1/20 0.65
RECQL P46063 1/20 0.61
CYP1A1 P04798 2/20 0.60
CYP1B1 Q16678 2/20 0.60
CYP1A2 P05177 1/20 0.60
OPRD1 P41143 1/20 0.60
AURKA O14965 1/20 0.59
KDR P35968 1/20 0.59

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
SCHEMBL29074013 1.00 CREB1 (0.69) CREB1FLT3SLCO2B1PRSS1PRSS2
SCHEMBL30577294 0.90 ABCB1 (0.65) CREB1FLT3SLCO2B1PRSS1PRSS2
SCHEMBL29074005 0.90 ABCB1 (0.65) CREB1FLT3SLCO2B1PRSS1PRSS2
Mosloflavone SCHEMBL29477310 0.88 KDM4E (0.81) CREB1FLT3SLCO2B1PRSS1PRSS2
Mosloflavone SCHEMBL971985 0.88 KDM4E (0.81) CREB1FLT3SLCO2B1PRSS1PRSS2
SCHEMBL21335353 0.88 CREB1 (0.74) CREB1FLT3SLCO2B1PRSS1PRSS2
SCHEMBL7608398 0.88 CREB1 (0.68) CREB1FLT3SLCO2B1PRSS1PRSS2
SCHEMBL29165354 0.87 CREB1 (0.67) CREB1FLT3SLCO2B1PRSS1PRSS2
SCHEMBL30739036 0.87 CREB1 (0.67) CREB1FLT3SLCO2B1PRSS1PRSS2
SCHEMBL30730485 0.87 ABCB1 (0.61) CREB1FLT3SLCO2B1PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768839-A Synthesis method of oroxylin 南京芩领医药科技有限公司 2023-09-19 CN claimed
CN-116768839-A Synthesis method of oroxylin 南京芩领医药科技有限公司 2023-09-19 CN disclosed