SCHEMBL6906640

SCHEMBL6906640

COc1c(O)cc2oc(-c3ccccc3O)cc(=O)c2c1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREB1 P16220 5/20 0.75
FLT3 P36888 3/20 0.75
SLCO2B1 O94956 1/20 0.75
PRSS1 P07477 1/20 0.75
PRSS2 P07478 1/20 0.75
PRSS3 P35030 1/20 0.75
PTPRS Q13332 1/20 0.72
MEN1 O00255 5/20 0.67
MAPT P10636 5/20 0.67
KMT2A Q03164 5/20 0.67
NPC1 O15118 3/20 0.67
POLB P06746 3/20 0.67
RAB9A P51151 2/20 0.67
GFER P55789 2/20 0.67
GABRP O00591 1/20 0.67
GABRD O14764 1/20 0.67
PIM1 P11309 1/20 0.67
GABRA1 P14867 1/20 0.67
GABRB1 P18505 1/20 0.67
GABRG2 P18507 1/20 0.67

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
SCHEMBL17258310 0.89 CREB1 (0.70) CREB1FLT3SLCO2B1PRSS1PRSS2
Oroxylin A SCHEMBL431423 0.86 CREB1 (1.00) CREB1FLT3SLCO2B1PRSS1PRSS2
Oroxylin A SCHEMBL30452350 0.86 CREB1 (1.00) CREB1FLT3SLCO2B1PRSS1PRSS2
SCHEMBL5163483 0.84 KMT2A (0.71) CREB1SLCO2B1PRSS1PRSS2PRSS3
SCHEMBL27775457 0.83 ALDH1A1 (0.65) MEN1MAPTKMT2APOLBGABRP
SCHEMBL28661728 0.82 ALDH1A1 (0.75) MEN1MAPTKMT2APOLBGABRP
SCHEMBL4625384 0.82 ALDH1A1 (0.64) MEN1MAPTKMT2APOLBGABRP
SCHEMBL5162875 0.81 GABRP (0.74) PRSS1PRSS2PRSS3MEN1MAPT
SCHEMBL29927214 0.81 GABRP (0.74) PRSS1PRSS2PRSS3MEN1MAPT
Hispidulin SCHEMBL514926 0.81 POLB (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117740979-A Method for establishing fingerprint of pinellia decoction reference sample 国药集团德众(佛山)药业有限公司 2024-03-22 CN claimed
CN-118078844-A Separation and identification of anti-migraine active ingredients in Jinsan and application thereof 中国药科大学 2024-05-28 CN disclosed
CN-117740979-A Method for establishing fingerprint of pinellia decoction reference sample 国药集团德众(佛山)药业有限公司 2024-03-22 CN disclosed
CN-117405791-A Construction method and quality detection method of fingerprint of lung-heat-clearing decoction compound preparation 江西药都樟树制药有限公司 2024-01-16 CN disclosed
US-6740677-B2 ANXIETY, CONVULSIONS NATURON LIMITED (HK) 2004-05-25 US disclosed