SCHEMBL13626583

SCHEMBL13626583

CC(=O)c1ccc(CCCN(CCOc2cccc(C(F)(F)F)c2)S(C)(=O)=O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MCL1 Q07820 2/20 0.42
GAA P10253 1/20 0.40
MAOB P27338 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
PRNP P04156 1/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP2D6 P10635 1/20 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
SCHEMBL5726018 0.93 KDM4E (0.47) KDM4EALDH1A1MCL1GAAPTGES
SCHEMBL5725655 0.84 PSEN1 (0.36) KDM4EALDH1A1MCL1GAAMEN1
SCHEMBL13399037 0.81 HPGD (0.41) KDM4EALDH1A1MCL1MEN1KMT2A
SCHEMBL5726098 0.80 CA12 (0.37) KDM4EALDH1A1LMNA
SCHEMBL5724977 0.79 KDM4E (0.43) KDM4EALDH1A1KMT2AHPGDL3MBTL1
SCHEMBL5724744 0.79 PTGER4 (0.42) KDM4EALDH1A1ALOX5PPARGPPARA
SCHEMBL5726712 0.78 KDM4E (0.49) KDM4EPPARG
SCHEMBL13398705 0.77 HPGD (0.42) KDM4EALDH1A1MCL1MAOBMEN1
SCHEMBL5724984 0.77 CA12 (0.42) KDM4EALDH1A1GAAKMT2AL3MBTL1
SCHEMBL5726241 0.77 KDM4E (0.45) KDM4EALDH1A1MCL1PPARGKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622475-B2 EP2 agonists PFIZER INC (US) 2009-11-24 US disclosed