SCHEMBL28514219

SCHEMBL28514219

COc1ccc(COC(C)C(O)c2ccc(F)cc2OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.46
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
NR3C1 P04150 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
SYK P43405 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
BLM P54132 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 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
SCHEMBL20626799 1.00 APLNR (0.46) APLNRFFAR1FFAR4NR3C1NPC1
SCHEMBL17900614 1.00 APLNR (0.46) APLNRFFAR1FFAR4NR3C1NPC1
SCHEMBL22474245 0.85 MEN1 (0.43) NPC1RAB9ACYP2D6ADRA2AADRA1A
SCHEMBL17900530 0.85 MEN1 (0.43) NPC1RAB9ACYP2D6ADRA2AADRA1A
SCHEMBL28522124 0.85 MEN1 (0.43) NPC1RAB9ACYP2D6ADRA2AADRA1A
SCHEMBL17900694 0.80 FFAR1 (0.52) FFAR1MAOBMEN1MAPK1KMT2A
SCHEMBL22474200 0.80 FFAR1 (0.52) FFAR1MAOBMEN1MAPK1KMT2A
SCHEMBL28514163 0.80 FFAR1 (0.52) FFAR1MAOBMEN1MAPK1KMT2A
SCHEMBL20626798 0.79 NPC1 (0.40) APLNRFFAR1FFAR4NR3C1NPC1
SCHEMBL17894152 0.78 L3MBTL1 (0.45) RAB9AMEN1MAPK1KMT2ACA1

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-107205399-B Picolinamides as fungicides 美国陶氏益农公司 2021-01-29 CN disclosed