SCHEMBL28783978

SCHEMBL28783978

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.49
▸ HTR2A P28223 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ BCL9 O00512 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MGLL Q99685 2/20 0.41
▸ MC4R P32245 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HGFAC Q04756 1/20 0.38

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
SCHEMBL2387943 0.90 MMP2 (0.53) MMP2HTR2AMAPTCRHBPCRHR2
SCHEMBL8740500 0.90 MMP2 (0.53) MMP2HTR2AMAPTCRHBPCRHR2
SCHEMBL4423862 0.90 MMP2 (0.53) MMP2HTR2AMAPTCRHBPCRHR2
SCHEMBL6245105 0.84 DPP8 (0.50) MMP2HTR2AMC4RDPP8DPP9
SCHEMBL27760603 0.78 MMP2 (0.48) MMP2HTR2AMAPTCRHBPCRHR2
SCHEMBL15810831 0.78 LTA4H (0.57) MMP2HTR2AMAPTL3MBTL1KMT2A
SCHEMBL7874885 0.78 LTA4H (0.41) MMP2HTR2AL3MBTL1KMT2ADPP8
SCHEMBL8574344 0.75 MMP2 (0.56) MMP2GAAMC4RALDH1A1PDF
SCHEMBL3176066 0.75 GAA (0.61) HTR2AMAPTBCL9CTNNB1KMT2A
SCHEMBL18941468 0.75 PDF (0.48) MMP2HTR2AMAPTCRHBPCRHR2

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
CN-100522249-C Elongated multiple spacers in activatable prodrugs SINTAGAR B V (NL) 2009-08-05 — — CN disclosed
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