SCHEMBL6531097

SCHEMBL6531097

CCCC(C)(C(=O)C(C(=O)O)C(=O)OC(C)CC)c1ccccc1.CCCC1(C)C(=O)C(C(=O)OCC)=C(O)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.32
ALDH1A1 P00352 5/20 0.32
GAA P10253 3/20 0.32
GLA P06280 1/20 0.32
KDM4E B2RXH2 4/20 0.32
LMNA P02545 4/20 0.32
HPGD P15428 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
PKM P14618 3/20 0.32
MCL1 Q07820 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 2/20 0.32
CACNA1B Q00975 2/20 0.32
APBA1 Q02410 2/20 0.32
HTT P42858 1/20 0.32
ALOX12 P18054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6531094 0.90 MAPT (0.36) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL4000451 0.78 MAPT (0.42) MAPTGAAKDM4ELMNASMN1; SMN2
SCHEMBL4002178 0.78 ALDH1A1 (0.45) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL4986026 0.74 MAPT (0.42) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL4984788 0.74 MAPT (0.42) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL4006276 0.74 MAPT (0.42) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL4006040 0.73 ALDH1A1 (0.43) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL4000992 0.72 ALDH1A1 (0.44) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL4982412 0.72 ALDH1A1 (0.44) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL4985441 0.72 ALDH1A1 (0.44) MAPTALDH1A1GAAKDM4ELMNA

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
WO-2005019191-A2 1, 1-DIOXIDO-4H-1,2,4-BENZOTHIADIAZINE DERIVATE UND VERWANDTE VERBINDUNGEN ALS INHIBITOREN DER HCV POLYMERASE ZUR BEHANDLUNG VON HEPATITIS C ABBOTT LABORATORIES (US) 2005-03-03 WO disclosed