SCHEMBL28875665

SCHEMBL28875665

O=C1c2ccccc2OC2OC12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 2/20 0.52
RET P07949 1/20 0.44
KDR P35968 1/20 0.44
CYP19A1 P11511 5/20 0.42
MAOB P27338 4/20 0.42
ADORA3 P0DMS8 3/20 0.42
AR P10275 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
STK17B O94768 1/20 0.41
PARP1 P09874 1/20 0.39
S100A4 P26447 1/20 0.37
HSD11B1 P28845 1/20 0.37
AKR1C3 P42330 1/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 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
SCHEMBL29441433 1.00 MEN1 (0.52) MEN1POLBKMT2ARETKDR
SCHEMBL5548145 0.74 RET (0.46) MEN1POLBKMT2ARETKDR
SCHEMBL4775874 0.72 RET (0.45) MEN1POLBKMT2ARETKDR
SCHEMBL69430 0.72 PARP1 (0.48) MEN1POLBKMT2ARETKDR
SCHEMBL1429502 0.72 STK17B (0.46) MEN1POLBKMT2ARETKDR
SCHEMBL69727 0.72 RET (0.53) MEN1POLBKMT2ARETKDR
SCHEMBL4334851 0.72 NT5E (0.45) MEN1POLBKMT2ARETKDR
SCHEMBL11709624 0.72 RET (0.41) MEN1POLBKMT2ARETKDR
SCHEMBL18533244 0.72 RET (0.45) MEN1POLBKMT2ARETKDR
SCHEMBL28332234 0.69 CYP19A1 (0.45) MEN1POLBKMT2ARETKDR

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
CN-110049677-A Biological control reinforcing agent 耶达研究及发展有限公司 2019-07-23 CN disclosed