SCHEMBL6766764

SCHEMBL6766764

CCS(=O)(=O)CCc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ GRIN2D O15399 2/20 0.42
▸ GRIN3B O60391 2/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ GRIN2C Q14957 2/20 0.42
▸ GRIN3A Q8TCU5 2/20 0.42
▸ ALPL P05186 1/20 0.42
▸ ALPI P09923 1/20 0.42
▸ ALPG P10696 1/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ GRIK1 P39086 1/20 0.38
▸ GRIA1 P42261 1/20 0.38

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
SCHEMBL6767696 0.85 GAA (0.53) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL6767993 0.83 GAA (0.54) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL6763586 0.81 PKM (0.49) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL5393113 0.81 GAA (0.59) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL13303940 0.80 GAA (0.68) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL6763542 0.79 PKM (0.50) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL2056376 0.77 GAA (0.63) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL1824734 0.77 GAA (0.54) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL13015140 0.75 GAA (0.53) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL6767844 0.75 GAA (0.56) PKMGAAALDH1A1SMN1; SMN2POLB

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
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 — — US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 — — EP disclosed
Send feedback