SCHEMBL9873744

SCHEMBL9873744

Nc1cc(OCCOCCOC(F)F)c(Cl)cc1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
CYBB P04839 1/20 0.31
NCF1 P14598 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPOX P50336 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL9874109 0.87 NCF1 (0.33) CYBBNCF1
SCHEMBL9684646 0.82 L3MBTL1 (0.39) MAOAL3MBTL1LMNANCF1GLA
SCHEMBL9684658 0.82 L3MBTL1 (0.44) MAOAL3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL9873603 0.78 ALDH1A1 (0.40) MAOAL3MBTL1SMN1; SMN2PPOXMEN1
SCHEMBL8879337 0.77 L3MBTL1 (0.48) MAOAL3MBTL1SMN1; SMN2MEN1USP2
SCHEMBL8599263 0.77 GLA (0.50) MAOAL3MBTL1GLASMN1; SMN2PPOX
SCHEMBL17543904 0.77 HTR2C (0.44) MAOAGLASMN1; SMN2NPC1
SCHEMBL8602962 0.76 SMN1; SMN2 (0.46) MAOAGLASMN1; SMN2PPOXMEN1
SCHEMBL8604315 0.75 CSNK2A1 (0.49) MAOAGLASMN1; SMN2PPOXMEN1
SCHEMBL9874969 0.74 NCF1 (0.41) NCF1SMN1; SMN2ALDH1A1MAPTMAPK1

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-5024694-A Pre and postemergence herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-06-18 US disclosed