SCHEMBL4629185

SCHEMBL4629185

NCCCCC(C(=O)O)N(C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.40
MMP9 P14780 1/20 0.40
KIF11 P52732 4/20 0.40
GSR P00390 1/20 0.40
EPOR P19235 2/20 0.39
CPB2 Q96IY4 4/20 0.39
RNPEP Q9H4A4 1/20 0.39
F2 P00734 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL4629186 1.00 MMP2 (0.40) MMP2MMP9KIF11GSREPOR
SCHEMBL25184420 0.85 F2 (0.42) MMP2MMP9KIF11GSREPOR
SCHEMBL20191078 0.82 EPOR (0.42) MMP2MMP9KIF11GSREPOR
SCHEMBL9802532 0.78 CNR1 (0.36) KIF11
SCHEMBL9802526 0.78 CNR1 (0.36) KIF11
Hydrochloric Acid SCHEMBL10441339 0.77 CNR1 (0.36) KIF11
Hydrochloric Acid SCHEMBL10441338 0.77 CNR1 (0.36) KIF11
SCHEMBL8118993 0.76 KIF11 (0.39) KIF11
SCHEMBL4627963 0.76 CPA3 (0.41) KIF11
SCHEMBL4627959 0.76 CPA3 (0.41) KIF11

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-1917234-A1 TRITYLATION REACTIONS BASED ON METALLIC CATALYSIS Universita'Degli Studi di Roma "La Sapienza" (IT) 2008-05-07 EP disclosed
WO-2007009944-A1 TRITYLATION REACTIONS BASED ON METALLIC CATALYSIS Università degli Studi di Roma 'La Sapienza' (IT) 2007-01-25 WO disclosed