SCHEMBL5044254

SCHEMBL5044254

CCCCCCCCCCCCC#Cc1ccc(C[NH+]([O-])Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MMP2 P08253 1/20 0.41
MMP12 P39900 1/20 0.41
KCNH2 Q12809 5/20 0.39
TNK2 Q07912 1/20 0.38
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33

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
SCHEMBL4965849 0.85 HSD17B10 (0.43) FFAR1MMP2TSHRHSD17B10PTGDR2
SCHEMBL1852067 0.82 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1850763 0.82 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1852068 0.82 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1859815 0.82 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1850760 0.82 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL4963278 0.82 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL4966912 0.82 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1859814 0.82 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL3940735 0.81 FFAR1 (0.43) FFAR1FFAR4MMP2MMP12KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
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