SCHEMBL11645955

SCHEMBL11645955

CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.35
KMT2A Q03164 3/20 0.35
CHRM1 P11229 2/20 0.35
MEN1 O00255 2/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM3 P20309 1/20 0.35
TSHR P16473 1/20 0.33
ABCB1 P08183 3/20 0.32
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C9 P11712 1/20 0.31
MTOR P42345 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL8866100 0.81
SCHEMBL11640591 0.79 CHRM2 (0.33) CHRM2KMT2ACHRM1MEN1CYP2D6
SCHEMBL985161 0.72 TSHR (0.50) CHRM2KMT2ACHRM1MEN1CYP2D6
SCHEMBL7675335 0.69 CHRM2 (0.35) CHRM2KMT2ACHRM1MEN1CYP2D6
SCHEMBL9737052 0.67 CHRM2 (0.37) CHRM2KMT2ACHRM1MEN1CYP2D6
SCHEMBL11639835 0.66 CHRM2 (0.36) CHRM2KMT2ACHRM1MEN1CYP2D6
SCHEMBL7630274 0.66 GAA (0.45) CHRM2KMT2ACHRM1MEN1CYP2D6
SCHEMBL21103037 0.66 NLRP3 (0.36) ALDH1A1HSD17B10
SCHEMBL13531631 0.66 ALDH1A1 (0.46) CHRM2KMT2ACHRM1MEN1CHRM4
SCHEMBL9718984 0.65

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-4130710-A POLYOLEFIN STABILIZERS CIBA-GEIGY CORPORATION (US) 1978-12-19 US disclosed