SCHEMBL27564552

SCHEMBL27564552

Cc1cccc(NC(=O)C2CCCCC2C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRK2 P25098 1/20 0.71
▸ CASP6 P55212 1/20 0.71
▸ CASP8 Q14790 1/20 0.71
▸ CTDSP1 Q9GZU7 1/20 0.71
▸ TDP1 Q9NUW8 1/20 0.71
▸ L3MBTL1 Q9Y468 1/20 0.71
▸ APEX1 P27695 1/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.69
▸ GAA P10253 2/20 0.68
▸ ALDH1A1 P00352 3/20 0.67
▸ TP53 P04637 1/20 0.67
▸ RAB9A P51151 3/20 0.66
▸ NPC1 O15118 1/20 0.66
▸ MAPT P10636 1/20 0.63
▸ HTT P42858 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ GLA P06280 1/20 0.60
▸ LMNA P02545 2/20 0.59
▸ KMT2A Q03164 1/20 0.59

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
SCHEMBL12172851 0.85 NPSR1 (0.57) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL24283827 0.84 NPSR1 (0.68) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL7814275 0.84 GRK2 (0.72) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL7814995 0.83 HTT (0.71) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL13920562 0.82 NPSR1 (1.00) NPSR1GAAALDH1A1RAB9ANPC1
SCHEMBL15503788 0.81 GAA (1.00) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL259424 0.81 NPSR1 (0.97) NPSR1GAAALDH1A1TP53RAB9A
SCHEMBL20339082 0.79 MAPT (0.67) ALDH1A1TP53RAB9ANPC1MAPT
SCHEMBL21577925 0.79 MAPT (0.69) ALDH1A1TP53RAB9ANPC1MAPT
SCHEMBL12764072 0.79 NPSR1 (0.94) NPSR1GAAALDH1A1RAB9ANPC1

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-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 — — CN disclosed
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