SCHEMBL6785462

SCHEMBL6785462

CCOC(=O)C1CN(S(=O)(=O)c2cc3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
PPARG P37231 7/20 0.44
PPARA Q07869 6/20 0.44
PPARD Q03181 5/20 0.44
CYP2C19 P33261 1/20 0.44
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL6732137 0.87 PPARG (0.44) ALDH1A1PPARGPPARAPPARDCYP2C19
SCHEMBL6733988 0.85 PPARG (0.44) ALDH1A1PPARGPPARAPPARDOPRK1
SCHEMBL4938276 0.84 KMT2A (0.64) ALDH1A1CYP2C19MEN1KMT2AHTT
SCHEMBL6733146 0.83 PPARG (0.45) ALDH1A1PPARGPPARAPPARDPTGDR2
SCHEMBL6736938 0.82 PPARG (0.44) PPARGPPARAPPARDPTGDR2OPRK1
SCHEMBL6180930 0.80 KMT2A (0.48) ALDH1A1KMT2AHTTLMNA
Hydrochloric Acid SCHEMBL5733539 0.80 KMT2A (0.47) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL6725421 0.79 PPARG (0.43) ALDH1A1PPARGPPARAPPARDPTGDR2
SCHEMBL6728741 0.77 PPARG (0.41) ALDH1A1PPARGPPARAPPARDKMT2A
SCHEMBL6424043 0.77 MAPT (0.52) ALDH1A1PPARGPPARAPPARD

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-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed