SCHEMBL7605301

SCHEMBL7605301

COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OCC(=O)O)cc3o2)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 4/20 0.78
CYP1A1 P04798 3/20 0.78
CYP1A2 P05177 1/20 0.78
OPRD1 P41143 1/20 0.78
HDAC6 Q9UBN7 1/20 0.70
FLT3 P36888 2/20 0.67
AURKA O14965 1/20 0.67
KDR P35968 1/20 0.67
AURKB Q96GD4 1/20 0.67
MEN1 O00255 1/20 0.64
TP53 P04637 1/20 0.64
ABCB1 P08183 1/20 0.64
MDM2 Q00987 1/20 0.64
KMT2A Q03164 1/20 0.64
ABCG2 Q9UNQ0 1/20 0.64
MAPT P10636 3/20 0.63
KDM4E B2RXH2 2/20 0.63
POLB P06746 2/20 0.63
ADORA3 P0DMS8 1/20 0.63
RECQL P46063 1/20 0.62

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
SCHEMBL8052881 0.93 CYP1B1 (0.67) CYP1B1CYP1A1CYP1A2OPRD1HDAC6
SCHEMBL7603966 0.93 ABCB1 (0.74) CYP1B1CYP1A1CYP1A2OPRD1HDAC6
SCHEMBL7608744 0.92 ABCB1 (0.73) CYP1B1CYP1A1CYP1A2OPRD1HDAC6
SCHEMBL7604919 0.91 CYP1A1 (0.65) CYP1B1CYP1A1CYP1A2OPRD1HDAC6
SCHEMBL7605304 0.91 CYP1A1 (0.64) CYP1B1CYP1A1CYP1A2OPRD1HDAC6
SCHEMBL7608648 0.89 FLT3 (0.76) CYP1B1CYP1A1CYP1A2OPRD1FLT3
SCHEMBL7608398 0.89 CREB1 (0.68) CYP1B1CYP1A1CYP1A2OPRD1FLT3
SCHEMBL3131502 0.88 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2OPRD1HDAC6
SCHEMBL34468184 0.88 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2OPRD1HDAC6
SCHEMBL31238120 0.88 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2OPRD1HDAC6

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
EP-0915864-B1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE DONG A PHARM CO LTD (KR) 2002-09-04 EP claimed
US-6025387-A Gastroprotective flavone/flavanone compounds with therapeutic effect on inflammatory bowel disease DONG A PHARMACEUTICAL CO., LTD. (KR) 2000-02-15 US claimed
EP-0915864-B1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE DONG A PHARM CO LTD (KR) 2002-09-04 EP disclosed
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