SCHEMBL5041575

SCHEMBL5041575

CC(C)COc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TRIM24 O15164 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
TP53 P04637 1/20 0.44
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
CA7 P43166 2/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
ENPP2 Q13822 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL930646 0.86 PKM (0.52) LMNATRIM24CTDSP1TP53CA12
SCHEMBL29813063 0.85 LMNA (0.56) LMNACA12CA1CA2CA9
SCHEMBL25901847 0.85 CA1 (0.42) CA12CA1CA2CA9CA7
SCHEMBL21156445 0.84 LMNA (0.40) LMNATRIM24CA12CA1CA2
SCHEMBL25902276 0.84 FFAR1 (0.49) CA12CA1CA2CA9CA7
SCHEMBL21157746 0.83 CA1 (0.49) LMNACA12CA1CA2CA9
SCHEMBL27669127 0.83 CA1 (0.65) CA12CA1CA2CA9CA7
SCHEMBL6396284 0.83 LMNA (0.47) LMNATRIM24CTDSP1TP53CA12
SCHEMBL3737092 0.83 CTDSP1 (0.47) LMNATRIM24CTDSP1TP53CA12
SCHEMBL25902045 0.81 TDP1 (0.58) TP53CA12CA1CA2CA9

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-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed