SCHEMBL27733353

SCHEMBL27733353

CCOC(=O)C(Cc1ccccc1I)N(C)C(=O)CCc1ccccc1NC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ PIN1 Q13526 1/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ TACR1 P25103 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ EPHX2 P34913 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4092431 0.75 MMP13 (0.39) PIN1MMP8TACR1POLBGAA
SCHEMBL3171224 0.74 MMP8 (0.41) MMP8POLBGAAEPHX2ALDH1A1
SCHEMBL13799191 0.74 MMP8 (0.41) MMP8POLBGAAEPHX2ALDH1A1
SCHEMBL27488805 0.72 ALDH1A1 (0.44) CYP4F2CYP4A11POLBGAAL3MBTL1
SCHEMBL3162028 0.70 MMP8 (0.40) CYP4F2CYP4A11PIN1MMP8TACR1
SCHEMBL27533590 0.70 ALDH1A1 (0.40) CYP4F2CYP4A11POLBGAAMAPT
SCHEMBL4330313 0.69 MMP8 (0.48) CYP4F2CYP4A11PIN1MMP8TSHR
SCHEMBL5972398 0.68 MMP8 (0.47) CYP4F2CYP4A11PIN1MMP8TSHR
SCHEMBL13799190 0.68 ALDH1A1 (0.38) MMP8POLBGAAL3MBTL1ALDH1A1
SCHEMBL4092235 0.68 ALDH1A1 (0.38) MMP8POLBGAAL3MBTL1ALDH1A1

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
CN-101374820-B Piperazine compounds with a herbicidal action BASF SE 2013-09-04 — — CN disclosed
CN-101374820-A Piperazine compounds with a herbicidal action BASF SE (DE) 2009-02-25 — — CN disclosed
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