SCHEMBL7605812

SCHEMBL7605812

COc1ccc2c(c1)C(=O)CC(O)(c1ccc(OC)c(OC)c1)O2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
KLK7 P49862 1/20 0.57
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PPIB P23284 1/20 0.44
RIPK1 Q13546 1/20 0.44
LMNA P02545 2/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 3/20 0.42
GAA P10253 3/20 0.42
CASP1 P29466 2/20 0.42
GLA P06280 2/20 0.42
CASP7 P55210 1/20 0.42
MAPT P10636 3/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
EDNRA P25101 4/20 0.41

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
SCHEMBL7518810 0.76 L3MBTL1 (0.44) KDM4EKLK7ALDH1A1SMN1; SMN2RIPK1
SCHEMBL7518808 0.76 L3MBTL1 (0.44) KDM4EKLK7ALDH1A1SMN1; SMN2RIPK1
SCHEMBL30872986 0.76 RIPK1 (0.53) KDM4EKLK7ALDH1A1SMN1; SMN2PPIB
SCHEMBL29375243 0.74 KDM4E (0.60) KDM4EKLK7ALDH1A1SMN1; SMN2PPIB
SCHEMBL6086511 0.74 KDM4E (0.65) KDM4EKLK7ALDH1A1SMN1; SMN2PPIB
SCHEMBL7605816 0.71 EDNRA (0.42) KDM4EKLK7ALDH1A1SMN1; SMN2PPIB
SCHEMBL21159521 0.71 KDM4E (0.56) KDM4EKLK7ALDH1A1SMN1; SMN2PPIB
SCHEMBL620146 0.70 KDM4E (0.63) KDM4EKLK7ALDH1A1SMN1; SMN2PPIB
SCHEMBL23957129 0.69 KDM4E (0.57) KDM4EKLK7ALDH1A1SMN1; SMN2PPIB
SCHEMBL9444279 0.69 KDM4E (0.68) KDM4EKLK7ALDH1A1SMN1; SMN2PPIB

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
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