SCHEMBL1912612

SCHEMBL1912612

COC(=O)CCC(=O)NC(CCC(=O)O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 3/20 0.56
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ AKR1C3 P42330 5/20 0.42
▸ AKR1C2 P52895 5/20 0.42
▸ ABCB1 P08183 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ ITGB5 P18084 1/20 0.39
▸ ITGB6 P18564 1/20 0.39

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
SCHEMBL1912614 0.81 MME (0.56) MMEMEN1KMT2AABCB1MAPT
SCHEMBL2874678 0.80 MME (0.83) MMEMEN1KMT2A
SCHEMBL2874674 0.80 MME (0.83) MMEMEN1KMT2A
SCHEMBL11760050 0.76 MME (0.54) MMEAKR1C3AKR1C2L3MBTL1
SCHEMBL12087531 0.74 MEN1 (0.55) MMEMEN1KMT2AABCB1MAPT
SCHEMBL10197611 0.74 MME (0.67) MMEMEN1KMT2AMAPTHTT
SCHEMBL4831680 0.73 TACR3 (0.48) MMEMEN1KMT2AAKR1C3AKR1C2
SCHEMBL5926866 0.72 ABCB1 (0.48) MMEMEN1KMT2AAKR1C3AKR1C2
SCHEMBL2878369 0.71 MME (1.00) MME
SCHEMBL2878371 0.71 MME (1.00) MME

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
EP-2435409-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2012-04-04 — — EP disclosed
WO-2010136493-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 — — WO disclosed
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