SCHEMBL7604582

SCHEMBL7604582

COc1ccc(-c2cc(=O)c3c(OC4CCCC4)cc(OCC(=O)O)cc3o2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ABCB1 P08183 3/20 0.49
PDE4A P27815 3/20 0.49
CYP1B1 Q16678 2/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
TP53 P04637 1/20 0.49
MDM2 Q00987 1/20 0.49
PPARG P37231 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP1A1 P04798 1/20 0.48
OPRD1 P41143 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
XDH P47989 1/20 0.47
KDM4E B2RXH2 3/20 0.46
CYP3A4 P08684 2/20 0.46
POLB P06746 2/20 0.46
CYP2C9 P11712 2/20 0.46
HPGD P15428 2/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL7316873 0.91 CYP1B1 (0.57) MEN1KMT2APDE4ACYP1B1PPARG
Recoflavone SCHEMBL29406117 0.88 ABCB1 (0.59) MEN1KMT2AABCB1CYP1B1ABCG2
Recoflavone SCHEMBL2483541 0.88 ABCB1 (0.59) MEN1KMT2AABCB1CYP1B1ABCG2
Recoflavone SCHEMBL7603767 0.88 ABCB1 (0.58) MEN1KMT2AABCB1CYP1B1ABCG2
Recoflavone SCHEMBL2483546 0.88 ABCB1 (0.58) MEN1KMT2AABCB1CYP1B1ABCG2
Recoflavone SCHEMBL4829847 0.86 ABCB1 (0.56) MEN1KMT2AABCB1CYP1B1ABCG2
SCHEMBL8427265 0.85 KDM4E (0.59) MEN1KMT2AABCB1CYP1B1ABCG2
SCHEMBL7303645 0.84 CYP1B1 (0.57) MEN1KMT2APDE4ACYP1B1TP53
SCHEMBL7311118 0.84 CYP1B1 (0.57) MEN1KMT2APDE4ACYP1B1TP53
SCHEMBL7605191 0.83 CYP1B1 (0.72) MEN1KMT2AABCB1CYP1B1ABCG2

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
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