SCHEMBL7132181

SCHEMBL7132181

CCc1ccccc1NCC(O)CS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 4/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL1144925 0.80 LMNA (0.39) MAPTHTTLMNA
SCHEMBL10797153 0.80 LMNA (0.51) ALDH1A1MAPTGAATAS1R3TAS1R1
SCHEMBL1144923 0.79 LMNA (0.39) LMNA
SCHEMBL4585693 0.78 POLB (0.37) ALDH1A1MAPTGAATAS1R3TAS1R1
SCHEMBL10907187 0.78 BACE1 (0.57) ALDH1A1MAPTGAATSHR
SCHEMBL27681020 0.77 MAPT (0.42) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL10599484 0.77 ALDH1A1 (0.45) ALDH1A1MAPTGAATAS1R3TAS1R1
SCHEMBL28861359 0.76 MAPT (0.41) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL7902799 0.76 MAPT (0.53) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL10799202 0.75 LMNA (0.40) ALDH1A1GAATSHRLMNAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1166106-A4 REAGENT AND METHOD FOR DETECTING AN ADULTERANT IN AN AQUEOUS SAMPLE QUEST DIAGNOSTICS INVEST INC (US) 2003-05-14 EP disclosed
EP-1166106-A1 REAGENT AND METHOD FOR DETECTING AN ADULTERANT IN AN AQUEOUS SAMPLE Quest Diagnostics Investments Incorporated (US) 2002-01-02 EP disclosed
WO-2000052464-A1 REAGENT AND METHOD FOR DETECTING AN ADULTERANT IN AN AQUEOUS SAMPLE QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2000-09-08 WO disclosed