SCHEMBL6716909

SCHEMBL6716909

CCCCCCCCC#Cc1ccc(CNCCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
S1PR1 P21453 10/20 0.45
S1PR3 Q99500 10/20 0.45
S1PR2 O95136 8/20 0.45
S1PR4 O95977 5/20 0.45
SCN8A Q9UQD0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LPAR2 Q9HBW0 3/20 0.39
S1PR5 Q9H228 1/20 0.39
LMNA P02545 1/20 0.39
MMP2 P08253 1/20 0.39
MMP12 P39900 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 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
SCHEMBL1852068 0.92 FFAR1 (0.49) FFAR1FFAR4S1PR1S1PR3S1PR2
SCHEMBL1859815 0.92 FFAR1 (0.49) FFAR1FFAR4S1PR1S1PR3S1PR2
SCHEMBL4963278 0.92 FFAR1 (0.49) FFAR1FFAR4S1PR1S1PR3S1PR2
SCHEMBL4966912 0.92 FFAR1 (0.49) FFAR1FFAR4S1PR1S1PR3S1PR2
SCHEMBL1850763 0.92 FFAR1 (0.49) FFAR1FFAR4S1PR1S1PR3S1PR2
SCHEMBL1853554 0.83 FFAR1 (0.46) FFAR1FFAR4LMNAMMP2MMP12
SCHEMBL1853660 0.83 FFAR1 (0.46) FFAR1FFAR4LMNAMMP2MMP12
SCHEMBL1854388 0.83 S1PR1 (0.50) S1PR1S1PR3S1PR2S1PR4LPAR2
SCHEMBL1855128 0.83 S1PR1 (0.50) S1PR1S1PR3S1PR2S1PR4LPAR2
SCHEMBL1852885 0.82 FFAR1 (0.45) FFAR1FFAR4HRH3MMP2MMP12

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
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed