SCHEMBL1853969

SCHEMBL1853969

CCCCCCCCCCCCNC(=O)c1ccc(CC(NC(=O)C(=O)OCC)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
PPARG P37231 3/20 0.44
EPHX2 P34913 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
GCGR P47871 6/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
TP53BP1 Q12888 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
FAAH O00519 1/20 0.41
NAAA Q02083 1/20 0.41
GIPR P48546 1/20 0.41
KCNH2 Q12809 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL1853396 0.90 MLYCD (0.47) MLYCDALDH1A1POLBPPARGEPHX2
SCHEMBL1852984 0.80 MLYCD (0.51) MLYCDALDH1A1PPARGEPHX2GCGR
SCHEMBL6022126 0.79 ALDH1A1 (0.46) MLYCDALDH1A1POLBMRGPRX4GCGR
SCHEMBL5039508 0.78 ROCK2 (0.44) MLYCDPPARGEPHX2GCGRNAAA
SCHEMBL1853034 0.77 TMEM97 (0.47) MLYCDALDH1A1POLBMRGPRX4L3MBTL1
SCHEMBL5039660 0.76 HDAC1 (0.44) MLYCDALDH1A1POLBPPARGEPHX2
SCHEMBL5047162 0.76 HDAC1 (0.44) MLYCDALDH1A1POLBPPARGEPHX2
SCHEMBL1852697 0.74 MLYCD (0.58) MLYCDALDH1A1POLBMRGPRX4L3MBTL1
SCHEMBL5048862 0.73 ALDH1A1 (0.56) MLYCDALDH1A1POLBMRGPRX4LMNA
SCHEMBL2358408 0.73 POLB (0.80) MLYCDALDH1A1POLBMRGPRX4L3MBTL1

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
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed