SCHEMBL8740500

SCHEMBL8740500

NCCCCC(N)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.53
▸ MAPT P10636 2/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ BCL9 O00512 1/20 0.46
▸ CTNNB1 P35222 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ MGLL Q99685 2/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ MC4R P32245 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HGFAC Q04756 1/20 0.40
▸ PDF Q9HBH1 1/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ PTPN12 Q05209 1/20 0.40

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
SCHEMBL4423862 1.00 MMP2 (0.53) MMP2MAPTCRHBPCRHR2L3MBTL1
SCHEMBL2387943 1.00 MMP2 (0.53) MMP2MAPTCRHBPCRHR2L3MBTL1
SCHEMBL28783978 0.90 MMP2 (0.49) MMP2MAPTCRHBPCRHR2L3MBTL1
SCHEMBL9840744 0.82 BCL9 (0.50) MAPTCRHBPCRHR2L3MBTL1BCL9
SCHEMBL7275811 0.82 BCL9 (0.50) MAPTCRHBPCRHR2L3MBTL1BCL9
SCHEMBL28323255 0.81 BCL9 (0.51) MAPTCRHBPCRHR2BCL9CTNNB1
SCHEMBL712246 0.81 MMP2 (0.46) MMP2MAPTKMT2AALDH1A1
SCHEMBL18941468 0.81 PDF (0.48) MMP2MAPTCRHBPCRHR2L3MBTL1
SCHEMBL18941467 0.81 PDF (0.48) MMP2MAPTCRHBPCRHR2L3MBTL1
SCHEMBL9819573 0.81 BCL9 (0.47) MMP2MAPTCRHBPCRHR2L3MBTL1

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
EP-0715619-A4 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORP (US) 1997-03-19 — — EP disclosed
EP-0715619-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1996-06-12 — — EP disclosed
EP-0002677-B1 GLUCOSAMINE-PEPTIDE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 1982-10-13 — — EP disclosed
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