SCHEMBL21788883

SCHEMBL21788883

O=C(OC1CC2(CO)CC1C2)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
BCHE P06276 2/20 0.41
TSHR P16473 1/20 0.41
CHRNA7 P36544 1/20 0.40
SLC18A3 Q16572 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL21788902 0.76 GAA (0.46) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL8183692 0.71 GAA (0.58) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL26710051 0.70 SLC18A3 (0.61) CHRM2CHRM4CHRM1CHRM3BCHE
SCHEMBL1785360 0.70 SLC18A3 (0.61) CHRM2CHRM4CHRM1CHRM3BCHE
SCHEMBL25755470 0.70 SLC18A3 (0.61) CHRM2CHRM4CHRM1CHRM3BCHE
SCHEMBL10907426 0.70 SLC18A3 (0.61) CHRM2CHRM4CHRM1CHRM3BCHE
SCHEMBL16311866 0.70 CHRM2 (0.56) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL11383894 0.69 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3BCHE
SCHEMBL11376280 0.69 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3BCHE
SCHEMBL11510177 0.69 GAA (0.44) GAACHRM2CHRM4CHRM1CHRM3

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
WO-2020047447-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2020-03-05 WO disclosed