SCHEMBL27471024

SCHEMBL27471024

Clc1c[c]cc(Cl)c1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.46
TSHR P16473 1/20 0.46
RHEB Q15382 3/20 0.43
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
DPP4 P27487 1/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NSD2 O96028 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TLR9 Q9NR96 1/20 0.37
STK39 Q9UEW8 1/20 0.37
NR1H2 P55055 1/20 0.37
BAX Q07812 1/20 0.37
MAOA P21397 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL9645022 0.79 LTA4H (0.52) LTA4HTSHRRHEBKMT2AMAPT
SCHEMBL1452003 0.76 LTA4H (0.48) LTA4HTSHRKMT2AMAPTKDM4E
SCHEMBL231083 0.74 DPP4 (0.43) LTA4HTSHRKMT2AMAPTDPP4
SCHEMBL17273646 0.72 LTA4H (0.73) LTA4HTSHRKMT2AMAPTKDM4E
SCHEMBL5554528 0.72 KMT2A (0.50) LTA4HTSHRRHEBKMT2AMAPT
SCHEMBL13556591 0.72 NPBWR1 (0.44) LTA4HTSHRRHEBKMT2AMAPT
SCHEMBL2180409 0.72 LTA4H (0.50) LTA4HTSHRKMT2AMEN1NSD2
SCHEMBL8371026 0.72 HSPB1 (0.50) KMT2AMAPTMEN1CA1CA2
SCHEMBL3689752 0.72 LTA4H (0.55) LTA4HTSHRRHEBKMT2AMAPT
SCHEMBL11432939 0.71 RHEB (0.53) LTA4HTSHRRHEBKMT2AMAPT

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-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed