SCHEMBL6715158

SCHEMBL6715158

CCCCCCCCC#Cc1ccc(CCC(C)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
MMP2 P08253 2/20 0.38
MMP12 P39900 1/20 0.38
KCNH2 Q12809 4/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TNK2 Q07912 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FDFT1 P37268 2/20 0.34
ACACB O00763 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MMP3 P08254 1/20 0.33
PLK1 P53350 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL5044125 0.90 HSD17B10 (0.41) FFAR1FFAR4KCNH2TMEM97SLC6A4
SCHEMBL5040477 0.81 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1859891 0.81 FFAR1 (0.43) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5044417 0.81 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5046558 0.81 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5047701 0.81 FFAR1 (0.47) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL6022059 0.79 FFAR1 (0.45) FFAR1FFAR4MMP2MMP12SLC6A4
SCHEMBL24126198 0.78 TMEM97 (0.51) KCNH2TMEM97MEN1KMT2AFDFT1
SCHEMBL1850760 0.78 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL4963278 0.78 FFAR1 (0.49) 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 4 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 claimed
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 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