SCHEMBL9303840

SCHEMBL9303840

O=C(O)CC[C@H](NNc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.57
MMP8 P22894 2/20 0.57
MMP13 P45452 1/20 0.57
ADAMTS4 O75173 1/20 0.57
GGH Q92820 1/20 0.52
GAA P10253 1/20 0.51
NAALAD2 Q9Y3Q0 3/20 0.49
MME P08473 1/20 0.46
FFAR1 O14842 4/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MMP2 P08253 3/20 0.45
MMP12 P39900 1/20 0.45
MMP14 P50281 1/20 0.45
FOLH1 Q04609 3/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL7282302 0.92 GAA (0.59) MMP9MMP8MMP13ADAMTS4GGH
SCHEMBL9304277 0.80 MAPT (0.48) GGHGAAMMP2FOLH1LMNA
SCHEMBL9304269 0.80 MAPT (0.48) GGHGAAMMP2FOLH1LMNA
SCHEMBL2252322 0.75 CA2 (0.66) MMP9MMP8MMP13ADAMTS4GAA
SCHEMBL8237305 0.75 CA2 (0.66) MMP9MMP8MMP13ADAMTS4GAA
SCHEMBL60371 0.75 GAA (0.62) MMP9MMP8MMP13ADAMTS4GGH
SCHEMBL60370 0.75 GAA (0.62) MMP9MMP8MMP13ADAMTS4GGH
SCHEMBL8418984 0.75 FOLH1 (0.42) GGHFOLH1
SCHEMBL2246065 0.74 PTPN1 (0.60) ADAMTS4GAAMMP12FOLH1SMN1; SMN2
SCHEMBL4623122 0.74 PTPN1 (0.60) ADAMTS4GAAMMP12FOLH1SMN1; SMN2

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
US-5312565-A Nonlinear optical materials E. I. DUPONT DE NEMOURS AND COMPANY (US) 1994-05-17 US disclosed
EP-0546113-A1 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-16 EP disclosed
WO-1992003417-A2 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-05 WO disclosed