SCHEMBL1856434

SCHEMBL1856434

CCCCCCCCNC(=O)c1ccc(-c2ccc(CC([N]CC)c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.50
NAAA Q02083 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARG P37231 3/20 0.44
PPARA Q07869 2/20 0.44
EPHX2 P34913 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARD Q03181 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC11 Q96DB2 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL5048860 0.85 MLYCD (0.53) MLYCDNAAAL3MBTL1PPARGPPARA
SCHEMBL6022530 0.81 MLYCD (0.58) MLYCDNAAAL3MBTL1MEN1ALDH1A1
SCHEMBL6023358 0.80 MLYCD (0.54) MLYCDNAAAL3MBTL1PPARGPPARA
SCHEMBL6721904 0.80 MLYCD (0.54) MLYCDNAAAL3MBTL1PPARGPPARA
SCHEMBL5045562 0.79 ALDH1A1 (0.47) MLYCDNAAAL3MBTL1PPARGPPARA
SCHEMBL5044168 0.79 ALDH1A1 (0.47) MLYCDNAAAL3MBTL1PPARGPPARA
SCHEMBL28929298 0.79 MLYCD (0.76) MLYCDNAAAL3MBTL1EPHX2MEN1
SCHEMBL5046020 0.79 PPARG (0.53) PPARGPPARAEPHX2PPARDHDAC1
SCHEMBL13577932 0.78 MLYCD (0.73) MLYCDNAAAL3MBTL1EPHX2MEN1
SCHEMBL5039932 0.78 MLYCD (0.62) MLYCDNAAAL3MBTL1PPARGPPARA

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