SCHEMBL7605697

SCHEMBL7605697

COc1ccc(C2Oc3cc(OCC(=O)O)c(OC)c(O)c3CC2=O)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
TAS2R31 P59538 1/20 0.38
POLB P06746 2/20 0.38
HIF1A Q16665 1/20 0.37

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
SCHEMBL8066879 0.84 GSK3B (0.46) XDHSMN1; SMN2TSHRHSD17B10CDK1
SCHEMBL382209 0.82 TUBB4A (0.47) XDHSMN1; SMN2TSHRHSD17B10GSK3B
SCHEMBL29186041 0.79 CDK1 (0.44) XDHCDK1CCNB1GSK3AGSK3B
SCHEMBL7605704 0.77 TAS2R31 (0.65) XDHSMN1; SMN2TSHRHSD17B10GSK3B
SCHEMBL4129050 0.76 CDK1 (0.47) XDHUSP2CDK1CCNB1GSK3A
SCHEMBL8063267 0.76 GSK3B (0.49) XDHSMN1; SMN2TSHRHSD17B10CDK1
SCHEMBL8064381 0.76 CDK1 (0.45) XDHCDK1CCNB1GSK3AGSK3B
SCHEMBL12573073 0.73 CDK1 (0.44) SMN1; SMN2TSHRCASP1CDK1CCNB1
SCHEMBL13829395 0.72 CDK1 (0.44) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL1164884 0.72 ALDH1A1 (0.50) HSD17B10CDK1CCNB1GSK3AGSK3B

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 claimed