SCHEMBL9308568

SCHEMBL9308568

CCCC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 4/20 0.44
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
MMP8 P22894 1/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.42
AR P10275 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7999056 0.91 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1BCL9
SCHEMBL2672728 0.89 MAPT (0.59) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL960875 0.85 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL9001515 0.84 MAPT (0.54) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL9710075 0.81 MMP8 (0.50) MAPTALDH1A1LMNAMMP8KMT2A
SCHEMBL19413788 0.81 MAPT (0.50) MAPTCRHBPCRHR2L3MBTL1BCL9
SCHEMBL14999956 0.81 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL1522685 0.80 MMP8 (0.64) L3MBTL1ALDH1A1KDM4ELMNAMMP8
SCHEMBL15664802 0.80 MAPT (0.50) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL5160654 0.79 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1ALDH1A1

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
US-5358950-A Useful in treatment of cardiovascular diseases LABORATOIRES UPSA (FR) 1994-10-25 US disclosed
US-5217973-A Treatment of cardiovascular diseases such as hypertension, cardiac insufficiency and diseases of the arterial walls LABORATOIRES UPSA (FR) 1993-06-08 US disclosed