SCHEMBL8447366

SCHEMBL8447366

CC(C)CN(CC(O)C(=O)O)C(=O)NC(CC(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.47
▸ ACE P12821 6/20 0.47
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP26A1 O43174 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL8453232 0.90 ALDH1A1 (0.43) MMEACEKMT2AALDH1A1GAA
SCHEMBL8451302 0.88 KMT2A (0.53) MMEACEKMT2AALDH1A1HTT
SCHEMBL8453630 0.85 MME (0.51) MMEACEALDH1A1LMNACYP26A1
SCHEMBL8448437 0.85 MME (0.63) MMEACEKMT2ASMN1; SMN2CYP26A1
SCHEMBL8447368 0.85 MME (0.58) MMEACEKMT2AALDH1A1LMNA
SCHEMBL8451301 0.84 MME (0.50) MMEACESMN1; SMN2CYP26A1
SCHEMBL8455915 0.83 MME (0.48) MMEACEKMT2AALDH1A1SMN1; SMN2
SCHEMBL8030339 0.80 MME (0.74) MMEACEKMT2ASMN1; SMN2NPC1
SCHEMBL8030346 0.80 MME (0.74) MMEACEKMT2ASMN1; SMN2NPC1
SCHEMBL8448568 0.79 MME (0.63) MMEACE

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
US-5891912-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-04-06 — — US disclosed
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