SCHEMBL1852119

SCHEMBL1852119

CCCCCCCCCCCCNC(=O)c1ccc(C(C)N(CC)Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.52
TMEM97 Q5BJF2 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
LSS P48449 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NAAA Q02083 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.43
MCHR1 Q99705 1/20 0.43
CA2 P00918 1/20 0.43
NAMPT P43490 1/20 0.43
HTT P42858 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 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
SCHEMBL5045619 0.89 MLYCD (0.53) MLYCDTMEM97SIGMAR1LSSL3MBTL1
SCHEMBL1854991 0.85 TMEM97 (0.50) MLYCDTMEM97SIGMAR1LSSL3MBTL1
SCHEMBL1852887 0.85 TMEM97 (0.50) MLYCDTMEM97SIGMAR1LSSL3MBTL1
SCHEMBL6718419 0.84 MLYCD (0.60) MLYCDTMEM97SIGMAR1LSSL3MBTL1
SCHEMBL1851511 0.82 MLYCD (0.46) MLYCDTMEM97SIGMAR1LSSL3MBTL1
SCHEMBL1853956 0.82 MLYCD (0.46) MLYCDTMEM97SIGMAR1LSSL3MBTL1
Water SCHEMBL27619618 0.82 MLYCD (0.50) MLYCDTMEM97SIGMAR1LSSL3MBTL1
SCHEMBL1852987 0.81 TMEM97 (0.56) MLYCDTMEM97SIGMAR1LSSL3MBTL1
SCHEMBL6717461 0.81 MLYCD (0.56) MLYCDTMEM97SIGMAR1LSSL3MBTL1
SCHEMBL1853427 0.81 TMEM97 (0.56) MLYCDTMEM97SIGMAR1LSSL3MBTL1

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