SCHEMBL7605852

SCHEMBL7605852

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

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.78
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
ABCG2 Q9UNQ0 2/20 0.78
TP53 P04637 1/20 0.78
MDM2 Q00987 1/20 0.78
CYP1B1 Q16678 3/20 0.68
CYP1A1 P04798 2/20 0.68
CYP1A2 P05177 1/20 0.68
OPRD1 P41143 1/20 0.68
HDAC6 Q9UBN7 1/20 0.64
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
Sinensetin SCHEMBL29549544 0.88 ABCB1 (1.00) ABCB1MEN1KMT2AABCG2TP53
Sinensetin SCHEMBL29700880 0.88 ABCB1 (1.00) ABCB1MEN1KMT2AABCG2TP53
Sinensetin SCHEMBL621101 0.88 ABCB1 (1.00) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL7603966 0.87 ABCB1 (0.74) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL7608744 0.86 ABCB1 (0.73) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL7608730 0.86 ABCB1 (0.73) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL7603349 0.85 BRD4 (0.64) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL21206264 0.84 CYP1B1 (0.78) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL30375640 0.84 CYP1B1 (0.78) ABCB1MEN1KMT2AABCG2TP53
Sinensetin SCHEMBL7020909 0.84 CYP1B1 (0.95) ABCB1MEN1KMT2AABCG2TP53

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 8 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-A1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE Dong A Pharmaceutical Co. Ltd. (KR) 1999-05-19 EP claimed
WO-1998004541-A1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE DONG A PHARMACEUTICAL CO., LTD. (KR) 1998-02-05 WO 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