SCHEMBL8052909

SCHEMBL8052909

CCCCCOc1cc(OCc2ccccc2)cc2c1C(=O)CC(c1ccccc1)O2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.58
HSD17B10 Q99714 3/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
CYP3A4 P08684 2/20 0.58
MAPK1 P28482 1/20 0.58
ACHE P22303 5/20 0.54
BCHE P06276 4/20 0.54
ROR1 Q01973 1/20 0.52
DRD2 P14416 4/20 0.47
CYP19A1 P11511 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 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
SCHEMBL8069101 0.83 MAOB (0.47) ABCG2HSD17B10KDM4EACHECYP19A1
SCHEMBL7064285 0.82 HSD17B10 (0.54) ABCG2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL13091029 0.81 ABCG2 (0.73) ABCG2HSD17B10ALDH1A1CYP3A4ACHE
SCHEMBL13091031 0.81 ABCG2 (0.73) ABCG2HSD17B10ALDH1A1CYP3A4ACHE
SCHEMBL13091033 0.81 ABCG2 (0.73) ABCG2HSD17B10ALDH1A1CYP3A4ACHE
SCHEMBL13100738 0.81 ABCG2 (0.72) ABCG2HSD17B10ALDH1A1CYP3A4ACHE
SCHEMBL13100737 0.81 ABCG2 (0.72) ABCG2HSD17B10ALDH1A1CYP3A4ACHE
SCHEMBL13100739 0.81 ABCG2 (0.72) ABCG2HSD17B10ALDH1A1CYP3A4ACHE
SCHEMBL13711827 0.80 ABCG2 (0.63) ABCG2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL8069162 0.79 ALDH1A1 (0.65) ABCG2HSD17B10KDM4EALDH1A1HPGD

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 1 patent. 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