SCHEMBL11036498

SCHEMBL11036498

CCCCCCOc1ccc(-c2ccc(OCCCCCC)cc2F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.53
TSHR P16473 2/20 0.51
PTPN11 Q06124 4/20 0.51
PDK2 Q15119 2/20 0.51
TP53 P04637 2/20 0.47
LTA4H P09960 2/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLA2G4B P0C869 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
HTR1A P08908 3/20 0.46
HTR1D P28221 3/20 0.46
HTR1B P28222 3/20 0.46

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
SCHEMBL9247693 0.90 PTPN11 (0.54) NR5A1TSHRPTPN11PDK2TP53
SCHEMBL9244788 0.90 PTPN11 (0.54) NR5A1TSHRPTPN11PDK2TP53
SCHEMBL16852407 0.88 PDK2 (0.43) NR5A1TSHRPTPN11PDK2TP53
SCHEMBL1313964 0.88 PDK2 (0.43) NR5A1TSHRPTPN11PDK2THRA
SCHEMBL13648658 0.88 PTPN11 (0.52) NR5A1TSHRPTPN11PDK2
SCHEMBL17447398 0.88 PTPN11 (0.54) TSHRPTPN11PDK2LTA4H
SCHEMBL13648644 0.88 PTPN11 (0.52) NR5A1TSHRPTPN11PDK2
SCHEMBL8454472 0.87 NR5A1 (0.55) NR5A1TSHRTP53LTA4HMAPT
SCHEMBL9426763 0.86 PTPN11 (0.45) NR5A1TSHRPTPN11PDK2TP53
SCHEMBL9427282 0.86 PTPN11 (0.45) NR5A1TSHRPTPN11PDK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59076029-A None JP disclosed
JP-S5976029-A BIPHENYL DERIVATIVE CONTAINING FLUORINE CHISSO CORP 1984-04-28 JP disclosed