SCHEMBL7323993

SCHEMBL7323993

CCOC(=O)[C@@H](O)C(Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CAPN1 P07384 1/20 0.44
MMP8 P22894 1/20 0.44
CLPP Q16740 2/20 0.44
LMNA P02545 1/20 0.44
PYGL P06737 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
BACE1 P56817 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TACR3 P29371 1/20 0.42
HPRT1 P00492 1/20 0.42
TACR2 P21452 1/20 0.42
TP53 P04637 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
SCHEMBL7322290 0.84 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4CAPN1
SCHEMBL29615051 0.83 EPHX2 (0.51) MMP8LMNAPYGL
SCHEMBL14120685 0.82 PYGL (0.39) PYGLROCK2ROCK1BACE1TP53
SCHEMBL14120684 0.82 PYGL (0.39) PYGLROCK2ROCK1BACE1TP53
SCHEMBL14121467 0.81 MME (0.39) CAPN1MMP8PYGLBACE1HPRT1
SCHEMBL14121466 0.81 MME (0.39) CAPN1MMP8PYGLBACE1HPRT1
SCHEMBL14120935 0.81 CTSA (0.39) PYGLROCK2ROCK1BACE1TP53
SCHEMBL14120934 0.81 CTSA (0.39) PYGLROCK2ROCK1BACE1TP53
SCHEMBL14120772 0.80 PYGL (0.38) CAPN1MMP8LMNAPYGLBACE1
SCHEMBL14120774 0.80 PYGL (0.38) CAPN1MMP8LMNAPYGLBACE1

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-6103720-A ENZYME INHIBITORS; ANTIICHEMIC AND -TUMOR AGENTS; STROKES; ALZEIMER'S DISEASE BASF AKTIENGESELLSCHAFT (DE) 2000-08-15 US disclosed