SCHEMBL9546292

SCHEMBL9546292

CC(=O)OC1C[CH]CC(OC(C)=O)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.41
CHRM1 P11229 7/20 0.41
CHRM4 P08173 6/20 0.41
CHRM3 P20309 6/20 0.41
CHRM5 P08912 5/20 0.41
TSHR P16473 3/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
POLB P06746 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
SCHEMBL20237060 0.90
SCHEMBL4621925 0.87 CHRM2 (0.37) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL14141163 0.84 CHRM2 (0.52) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL10449210 0.84 CHRM2 (0.52) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL6653691 0.84 CHRM2 (0.52) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL4648551 0.80 PPM1D (0.32) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL7334201 0.79 CHRM2 (0.44) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL2642444 0.78
SCHEMBL880204 0.77
SCHEMBL2325790 0.75 CHRM2 (0.46) CHRM2CHRM1CHRM4CHRM3CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338796-B1 2-SUBSTITUTED-2-CYCLOPENTENONES TEIJIN LIMITED (JP) 1993-03-10 EP disclosed
US-5116869-A Antitumor Agents, Bone Formation Accelerator TEIJIN LIMITED (JP) 1992-05-26 US disclosed