SCHEMBL8064245

SCHEMBL8064245

COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1OC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREB1 P16220 6/20 0.83
FLT3 P36888 3/20 0.83
PRSS1 P07477 2/20 0.83
PRSS2 P07478 2/20 0.83
PRSS3 P35030 2/20 0.83
SLCO2B1 O94956 1/20 0.83
PTPRS Q13332 2/20 0.79
ABCB1 P08183 6/20 0.70
MAPT P10636 5/20 0.70
ABCG2 Q9UNQ0 3/20 0.70
NPC1 O15118 3/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
TSHR P16473 1/20 0.70
GABRP O00591 3/20 0.68
GABRD O14764 3/20 0.68
GABRA1 P14867 3/20 0.68
GABRB1 P18505 3/20 0.68
GABRG2 P18507 3/20 0.68

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
SCHEMBL17663637 0.91 CREB1 (0.81) CREB1FLT3PRSS1PRSS2PRSS3
Oroxylin A SCHEMBL431423 0.91 CREB1 (1.00) CREB1FLT3PRSS1PRSS2PRSS3
Oroxylin A SCHEMBL30452350 0.91 CREB1 (1.00) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL8063178 0.88 FLT3 (0.83) CREB1FLT3PRSS1PRSS2PRSS3
Baicalein Trimethyl Ether SCHEMBL971297 0.86 ABCB1 (0.80) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL8064387 0.85 KDM4E (0.83) MAPTNPC1MEN1KMT2APOLB
SCHEMBL30606765 0.85 KDM4E (0.81) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL28660389 0.85 KDM4E (0.81) CREB1FLT3PRSS1PRSS2PRSS3
Mosloflavone SCHEMBL971985 0.84 KDM4E (0.81) CREB1FLT3PRSS1PRSS2PRSS3
Mosloflavone SCHEMBL29477310 0.84 KDM4E (0.81) CREB1FLT3PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025387-A Gastroprotective flavone/flavanone compounds with therapeutic effect on inflammatory bowel disease DONG A PHARMACEUTICAL CO., LTD. (KR) 2000-02-15 US disclosed
EP-0915864-A1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE Dong A Pharmaceutical Co. Ltd. (KR) 1999-05-19 EP disclosed
WO-1998004541-A1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE DONG A PHARMACEUTICAL CO., LTD. (KR) 1998-02-05 WO disclosed