SCHEMBL8526504

SCHEMBL8526504

O=C(OO)c1cccc(-c2ccccc2)c1C(=O)OO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.52
HNF4A P41235 1/20 0.49
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
HTT P42858 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
FOLH1 Q04609 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41

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
SCHEMBL27410294 0.89 MAPT (0.47) BCAT2HNF4ASLC6A4SLC6A3KMT2A
SCHEMBL8662843 0.85 BCAT2 (0.64) BCAT2HNF4ASLC6A4SLC6A3HTT
SCHEMBL28366814 0.83 BCAT2 (0.62) BCAT2HNF4ASLC6A4SLC6A3HTT
SCHEMBL23358783 0.82 HNF4A (0.68) BCAT2HNF4ASLC6A4SLC6A3HTT
SCHEMBL69682 0.81 SLC6A3 (0.57) SLC6A4SLC6A3HTTKMT2AMEN1
SCHEMBL50363 0.79 MAPT (0.56) BCAT2HNF4ASLC6A3KMT2ASMN1; SMN2
SCHEMBL628030 0.79 HNF4A (0.58) BCAT2HNF4AKMT2AMEN1SMN1; SMN2
SCHEMBL7865705 0.79 HNF4A (0.53) BCAT2HNF4ASLC6A4SLC6A3KMT2A
SCHEMBL27918640 0.77 HNF4A (0.44) BCAT2HNF4ASLC6A4SLC6A3HTT
SCHEMBL1348054 0.77 BCAT2 (0.46) BCAT2HNF4ASLC6A4SLC6A3KMT2A

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
EP-0414730-B1 Chemical Compounds and pharmaceutical compositions capable of releasing a drug MILLS RANDELL L (US) 1999-12-15 EP claimed