SCHEMBL28259387

SCHEMBL28259387

CCOC(=O)[C@H](CCc1ccccc1)N(C(=O)O)[C@@H](C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.42
ACE P12821 10/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB11 O95342 1/20 0.41
TSHR P16473 1/20 0.40
MMP8 P22894 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
SCHEMBL4990259 0.94 SMN1; SMN2 (0.48) SMN1; SMN2LMNAL3MBTL1ALDH1A1POLB
SCHEMBL6656396 0.87 SMN1; SMN2 (0.44) SMN1; SMN2LMNAL3MBTL1ALDH1A1POLB
Hydrochloric Acid SCHEMBL5593739 0.87 SMN1; SMN2 (0.44) SMN1; SMN2LMNAL3MBTL1ALDH1A1POLB
SCHEMBL6656395 0.87 SMN1; SMN2 (0.44) SMN1; SMN2LMNAL3MBTL1ALDH1A1POLB
SCHEMBL8261408 0.85 SMN1; SMN2 (0.50) SMN1; SMN2LMNAL3MBTL1ALDH1A1POLB
SCHEMBL8971348 0.84 SMN1; SMN2 (0.42) SMN1; SMN2LMNAL3MBTL1ALDH1A1POLB
SCHEMBL8971352 0.84 SMN1; SMN2 (0.42) SMN1; SMN2LMNAL3MBTL1ALDH1A1POLB
SCHEMBL10834757 0.82 SMN1; SMN2 (0.50) SMN1; SMN2LMNAL3MBTL1ALDH1A1POLB
SCHEMBL1994862 0.82 SMN1; SMN2 (0.44) SMN1; SMN2LMNAL3MBTL1ALDH1A1POLB
SCHEMBL1994865 0.82 SMN1; SMN2 (0.44) SMN1; SMN2LMNAL3MBTL1ALDH1A1POLB

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-109021064-A A kind of preparation method of enalapril maleate 扬子江药业集团有限公司 2018-12-18 CN disclosed