SCHEMBL6528344

SCHEMBL6528344

CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)Cl)cc1C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.79
PTPN11 Q06124 5/20 0.60
PTPN1 P18031 1/20 0.56
PTPN6 P29350 1/20 0.56
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
WDR5 P61964 1/20 0.47
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
MAPT P10636 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
FABP4 P15090 4/20 0.44

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
SCHEMBL6334612 0.91 S1PR3 (0.64) S1PR3PTPN11PTPN1PTPN6WDR5
SCHEMBL7029380 0.88 S1PR3 (1.00) S1PR3PTPN11PTPN1PTPN6ALDH1A1
SCHEMBL4125056 0.86 S1PR3 (0.78) S1PR3PTPN11PTPN1PTPN6ALDH1A1
SCHEMBL30823666 0.85 S1PR3 (0.56) S1PR3ALDH1A1WDR5LMNAKMT2A
SCHEMBL4268302 0.85 S1PR3 (0.56) S1PR3ALDH1A1WDR5LMNAKMT2A
SCHEMBL9388235 0.83 S1PR3 (0.53) S1PR3PTPN11ALDH1A1HPGDLMNA
SCHEMBL4130038 0.82 S1PR3 (0.71) S1PR3PTPN11PTPN1PTPN6WDR5
SCHEMBL10592254 0.81 PTPN11 (0.66) S1PR3PTPN11PTPN1PTPN6ALDH1A1
SCHEMBL10426448 0.81 S1PR3 (0.51) S1PR3PTPN11ALDH1A1HPGDLMNA
SCHEMBL6312300 0.80 S1PR3 (0.50) S1PR3ALDH1A1LMNACYP3A4MAPT

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-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 EP disclosed
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 US disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 US disclosed