SCHEMBL6129999

SCHEMBL6129999

CCc1ccccc1N(C)CC(O)CS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
PER2 O15055 6/20 0.33
CRY1 Q16526 5/20 0.33
CRY2 Q49AN0 5/20 0.33
ALDH1A1 P00352 2/20 0.33
AOC3 Q16853 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ADRB2 P07550 1/20 0.32
RECQL P46063 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATM Q13315 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4585696 0.81 APEX1 (0.33) APEX1PER2CRY1CRY2
SCHEMBL3794136 0.73 PER2 (0.44) APEX1KMT2AMEN1PER2CRY1
SCHEMBL6253134 0.72 PER2 (0.41) APEX1PER2CRY1CRY2ALDH1A1
Potassium SCHEMBL5140869 0.72 PER2 (0.43) APEX1KMT2AMEN1PER2CRY1
SCHEMBL29220638 0.70 CYP1A2 (0.33) KMT2APER2CRY1CRY2ALDH1A1
SCHEMBL242395 0.70 TSHR (0.42) KMT2AMEN1PER2CRY1CRY2
SCHEMBL27702880 0.70 GLA (0.49) KMT2AMEN1PER2CRY1CRY2
SCHEMBL2495979 0.69 MGLL (0.41) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL7132181 0.69 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL8276611 0.69 SLC22A6 (0.30)

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-1358459-A4 HYGIENE MONITORING CHARM SCIENCES INC (US) 2005-01-19 EP disclosed
EP-1358459-A2 HYGIENE MONITORING Charm Sciences Inc. (US) 2003-11-05 EP disclosed
WO-2002010708-A2 HYGIENE MONITORING CHARM SCIENCES, INC. (US) 2002-02-07 WO disclosed