SCHEMBL6719972

SCHEMBL6719972

CCCCCCCCCCC#Cc1ccc(CN)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.60
FFAR4 Q5NUL3 1/20 0.60
MMP2 P08253 1/20 0.51
MMP12 P39900 1/20 0.51
KCNH2 Q12809 4/20 0.50
TNK2 Q07912 1/20 0.44
HTR2A P28223 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6718627 1.00 FFAR1 (0.60) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL6022668 1.00 FFAR1 (0.60) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL4173511 0.93 FFAR1 (0.51) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5886652 0.87 FFAR1 (0.63) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL6240991 0.85 LOXL2 (0.47) FFAR1FFAR4TNK2LOXL2
SCHEMBL9333090 0.84 FFAR1 (0.61) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL2023915 0.84 FFAR1 (0.70) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9332907 0.84 FFAR1 (0.61) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9335934 0.84 FFAR1 (0.61) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9333536 0.83 FFAR1 (0.68) 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 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