SCHEMBL5778861

SCHEMBL5778861

CC(C)[C@@H](NC(=O)O)C(=O)CCc1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CNR1 P21554 3/20 0.45
ADAMTS4 O75173 2/20 0.45
CNR2 P34972 1/20 0.45
MMP13 P45452 1/20 0.45
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
MEP1A Q16819 1/20 0.43
MEP1B Q16820 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
FOLH1 Q04609 1/20 0.41
PTGES O14684 2/20 0.40
GPR139 Q6DWJ6 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
FAAH O00519 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
SCHEMBL644957 0.84 TRPA1 (0.47) FFAR1FFAR4ADAMTS4MMP13CTSL
SCHEMBL1680222 0.84 TRPA1 (0.47) FFAR1FFAR4ADAMTS4MMP13CTSL
SCHEMBL12807428 0.83 FFAR1 (0.41) FFAR1FFAR4CNR1ADAMTS4CNR2
SCHEMBL12735745 0.83 GLA (0.42) FFAR1FFAR4CNR1ADAMTS4CNR2
SCHEMBL14726008 0.78 HTRA1 (0.42) FFAR1FFAR4CNR1ADAMTS4CNR2
SCHEMBL19249056 0.78 CNR1 (0.54) FFAR1FFAR4CNR1CNR2LMNA
SCHEMBL5263129 0.77 GLA (0.54) CNR1CNR2LMNAGLAMEP1A
SCHEMBL3491515 0.75 FFAR1 (0.72) FFAR1FFAR4CNR1LMNA
SCHEMBL6364918 0.74 FFAR1 (0.55) FFAR1FFAR4CNR1LMNAGLA
SCHEMBL7335965 0.74 FFAR1 (0.57) FFAR1FFAR4CNR1LMNAGLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511734-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-05-10 EP disclosed
EP-1511734-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-03-09 EP disclosed
WO-2003088903-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-10-30 WO disclosed