SCHEMBL30577294

SCHEMBL30577294

COCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.65
ABCG2 Q9UNQ0 3/20 0.65
CREB1 P16220 5/20 0.61
MAPT P10636 4/20 0.61
HSD17B10 Q99714 3/20 0.61
PRSS1 P07477 2/20 0.61
PRSS2 P07478 2/20 0.61
PRSS3 P35030 2/20 0.61
PTPRS Q13332 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
KDM4E B2RXH2 2/20 0.61
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
KMT2A Q03164 2/20 0.61
CDK1 P06493 2/20 0.61
CCNB1 P14635 2/20 0.61
GABRP O00591 1/20 0.61

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
SCHEMBL29074005 1.00 ABCB1 (0.65) ABCB1ABCG2CREB1MAPTHSD17B10
SCHEMBL30730485 0.90 ABCB1 (0.61) ABCB1ABCG2CREB1MAPTHSD17B10
SCHEMBL29074013 0.90 CREB1 (0.69) ABCB1ABCG2CREB1MAPTPRSS1
SCHEMBL30577296 0.90 CREB1 (0.69) ABCB1ABCG2CREB1MAPTPRSS1
SCHEMBL29149099 0.90 ABCB1 (0.61) ABCB1ABCG2CREB1MAPTHSD17B10
SCHEMBL29149115 0.88 ABCB1 (0.73) ABCB1ABCG2CREB1MAPTHSD17B10
SCHEMBL29149151 0.87 ABCB1 (0.58) ABCB1ABCG2CREB1MAPTHSD17B10
SCHEMBL15674607 0.86 ABCB1 (0.81) ABCB1ABCG2CREB1MAPTHSD17B10
SCHEMBL30152130 0.86 ABCB1 (0.81) ABCB1ABCG2CREB1MAPTHSD17B10
SCHEMBL718970 0.86 ABCB1 (0.81) ABCB1ABCG2CREB1MAPTHSD17B10

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