SCHEMBL5048982

SCHEMBL5048982

CCCCCCCCCCC#Cc1ccc(C[CH]c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
MMP2 P08253 1/20 0.39
MMP12 P39900 1/20 0.39
KCNH2 Q12809 5/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TNK2 Q07912 1/20 0.34
HSD11B1 P28845 1/20 0.33
PLK1 P53350 1/20 0.31
PLK3 Q9H4B4 1/20 0.31

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
SCHEMBL5039769 0.77 FFAR1 (0.46) FFAR1FFAR4CYP3A4TSHRMMP2
SCHEMBL6783491 0.77 FFAR1 (0.44) FFAR1FFAR4CYP3A4TSHRMMP2
SCHEMBL1855384 0.76 ACHE (0.43) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1853472 0.76 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1851716 0.76 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1855383 0.74 FFAR1 (0.42) FFAR1FFAR4CYP3A4TSHRMMP2
SCHEMBL1852067 0.72 FFAR1 (0.49) FFAR1FFAR4CYP3A4TSHRMMP2
SCHEMBL1850760 0.72 FFAR1 (0.49) FFAR1FFAR4CYP3A4TSHRMMP2
SCHEMBL1859814 0.72 FFAR1 (0.49) FFAR1FFAR4CYP3A4TSHRMMP2
SCHEMBL5886652 0.71 FFAR1 (0.63) 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 1 patent. 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