SCHEMBL14465126

SCHEMBL14465126

CCOC(=O)C(Cc1ccccc1C)N(C)C(=O)[C@H](Cc1ccccc1)NC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.43
▸ EPHX2 P34913 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ HPRT1 P00492 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PPARG P37231 1/20 0.37

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
SCHEMBL3171224 0.89 MMP8 (0.41) MMP8EPHX2NPY1RNPY2RMMP9
SCHEMBL13799191 0.89 MMP8 (0.41) MMP8EPHX2NPY1RNPY2RMMP9
SCHEMBL14464224 0.80 ALDH1A1 (0.39) MMP8EPHX2L3MBTL1NPY1RNPY2R
SCHEMBL30688463 0.77 MMP9 (0.48) MMP8L3MBTL1MMP9MMP14MEN1
SCHEMBL14464228 0.76 EPHX2 (0.47) MMP8EPHX2MEN1ALDH1A1KMT2A
SCHEMBL6322057 0.76 MMP8 (0.59) MMP8EPHX2NPY1RNPY2RELANE
SCHEMBL4765072 0.76 MMP8 (0.59) MMP8EPHX2NPY1RNPY2RELANE
Hydrochloric Acid SCHEMBL8027739 0.75 MMP8 (0.57) MMP8EPHX2NPY1RNPY2RELANE
Hydrochloric Acid SCHEMBL4588428 0.75 MMP8 (0.57) MMP8EPHX2NPY1RNPY2RELANE
SCHEMBL30688530 0.74 MMP9 (0.47) MMP8L3MBTL1MMP9MMP14MEN1

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
WO-2007077201-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2007-07-12 — — WO disclosed
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