SCHEMBL8613844

SCHEMBL8613844

Fc1cccc(-c2ccc(OCc3ccccc3)c(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.46
CTSA P10619 1/20 0.45
PRMT5 O14744 1/20 0.44
GRM2 Q14416 1/20 0.43
MRGPRX4 Q96LA9 4/20 0.42
FFAR4 Q5NUL3 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSS P25774 1/20 0.39
PTGER1 P34995 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL213469 0.81 ERN1 (0.43) ERN1CTSAPRMT5GRM2MRGPRX4
SCHEMBL23943637 0.78 HSD17B14 (0.54) ERN1CTSAPRMT5MRGPRX4FFAR4
SCHEMBL8612029 0.77 ERN1 (0.52) ERN1CTSAMRGPRX4S1PR5L3MBTL1
SCHEMBL8612215 0.77 PTGER1 (0.42) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL8611382 0.76 ALOX5AP (0.47) ERN1CTSAPRMT5GRM2MRGPRX4
SCHEMBL8616633 0.76 MRGPRX4 (0.48) ERN1CTSAPRMT5MRGPRX4PTGER1
SCHEMBL8613081 0.76 ALOX5AP (0.47) ERN1CTSAPRMT5GRM2MRGPRX4
SCHEMBL387683 0.76 ERN1 (0.44) ERN1CTSAPRMT5GRM2PTGER1
SCHEMBL8613876 0.76 ERN1 (0.51) ERN1CTSAMRGPRX4L3MBTL1
SCHEMBL21162496 0.76 ERN1 (0.59) ERN1CTSAMRGPRX4S1PR5MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665836-B1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AG (DE) 1998-04-29 EP disclosed
EP-0665836-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
WO-1994010152-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed