SCHEMBL8779938

SCHEMBL8779938

CC(C)(C)OC(=O)N(c1cc(Cl)ccc1N)[C@H](CC(N)=O)C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CYP2C9 P11712 1/20 0.35
PTGER1 P34995 1/20 0.35
SYK P43405 1/20 0.34
POLB P06746 1/20 0.34
FDFT1 P37268 1/20 0.34
CACNA1B Q00975 1/20 0.34
LTA4H P09960 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL1761067 0.78 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL29361101 0.76 ALDH1A1 (0.46) ALDH1A1L3MBTL1SYKPOLBLTA4H
SCHEMBL1479153 0.76 HPGD (0.36) KDM4EALDH1A1POLB
SCHEMBL21639011 0.71 ABCB1 (0.34)
SCHEMBL4820876 0.69 GAA (0.38) KDM4EALDH1A1CYP2C9
SCHEMBL7242976 0.68 FSCN1 (0.40) KDM4EALDH1A1
SCHEMBL30152829 0.68 FSCN1 (0.40) KDM4EALDH1A1
SCHEMBL16284728 0.68 SYK (0.50) ALDH1A1L3MBTL1SYKPOLBNPC1
SCHEMBL2325657 0.68 GAA (0.36) KDM4EALDH1A1FDFT1
SCHEMBL18256442 0.67 ALDH1A1 (0.44) ALDH1A1L3MBTL1SYKPOLB

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
EP-0539057-B1 Benzimidazole phosphono-amino acids AMERICAN HOME PROD (US) 1997-07-16 EP disclosed