SCHEMBL7793258

SCHEMBL7793258

CCCCCCCCCCCCCCCC(Oc1ccccc1S(=O)(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.52
PPARG P37231 7/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARA Q07869 4/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PPARD Q03181 1/20 0.39
PRSS1 P07477 2/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
S1PR3 Q99500 1/20 0.38
PTPN1 P18031 1/20 0.38
ALDH2 P05091 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL30639267 0.86 CTRC (0.54) CTRCPPARGPTGESALOX5PPARA
SCHEMBL4281038 0.83 PPARG (0.40) CTRCPPARGPPARACA12CA9
SCHEMBL568454 0.81 CTRC (0.50) CTRCPPARGPTGESALOX5PPARA
SCHEMBL11521450 0.81 KMT2A (0.53) CTRCPPARGPTGESALOX5PPARA
SCHEMBL568643 0.81 CTRC (0.50) CTRCPPARGPTGESALOX5PPARA
SCHEMBL14565994 0.81 CTRC (0.50) CTRCPPARGPTGESALOX5PPARA
SCHEMBL4654231 0.80 PPARG (0.59) CTRCPPARGPTGESALOX5PPARA
SCHEMBL19717843 0.80 KDM4E (0.56) CTRCPPARGPTGESALOX5PPARA
SCHEMBL9322236 0.80 CTRC (0.49) CTRCPPARGPTGESALOX5PPARA
SCHEMBL547407 0.80 KDM4E (0.56) CTRCPPARGPTGESALOX5PPARA

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-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