SCHEMBL8895899

SCHEMBL8895899

CC(CCc1ccccc1)C[C@H](OC(=O)N1CCc2ccccc2C1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACE P12821 2/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP8 P22894 1/20 0.43
NOTUM Q6P988 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRMT5 O14744 3/20 0.43
WDR77 Q9BQA1 3/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL8610388 0.85 ABHD6 (0.56) ABHD6KMT2AMEN1MAPTACE
SCHEMBL8896159 0.83 ACE (0.45) KMT2AMEN1MAPTL3MBTL1ACE
SCHEMBL8898654 0.83 ACE (0.45) KMT2AMEN1MAPTL3MBTL1ACE
SCHEMBL8895893 0.77 RECQL (0.52) ABHD6KMT2AMEN1MAPTL3MBTL1
SCHEMBL6102363 0.75 ABHD6 (0.68) ABHD6KMT2AMEN1MAPTACE
SCHEMBL8896829 0.74 PPARG (0.48) KMT2AMEN1ALDH1A1NPC1SMN1; SMN2
SCHEMBL11980686 0.74 ABHD6 (0.66) ABHD6KMT2AMEN1MAPTACE
SCHEMBL324836 0.73 PRMT5 (0.55) ABHD6KMT2AMEN1MAPTALDH1A1
SCHEMBL7454462 0.73 ABHD6 (0.61) ABHD6KMT2AMEN1MAPTACE
SCHEMBL4952073 0.71 HDAC8 (0.74) KMT2AMEN1ACEALDH1A1KDM4E

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-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed