SCHEMBL11640591

SCHEMBL11640591

CCN1C(C)(C)CC(OC(C)=O)C(OC(C)=O)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 1/20 0.33
CHRM1 P11229 1/20 0.33
ABCB1 P08183 1/20 0.32
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL11645955 0.79 CHRM2 (0.35) CHRM2KMT2ACYP2D6MEN1CHRM1
SCHEMBL8811351 0.75 KMT2A (0.47) CHRM2KMT2ACYP2D6MEN1CHRM1
SCHEMBL11643226 0.72 CHRM2 (0.39) CHRM2KMT2ACYP2D6MEN1CHRM1
SCHEMBL24833770 0.69 KMT2A (0.42) CHRM2KMT2AMEN1CHRM1TSHR
SCHEMBL7675335 0.66 CHRM2 (0.35) CHRM2KMT2ACYP2D6MEN1CHRM1
SCHEMBL251451 0.64 TSHR (0.37) KMT2AMEN1TSHR
SCHEMBL2784910 0.64 NAAA (0.38) KMT2AMEN1TSHR
SCHEMBL9737052 0.64 CHRM2 (0.37) CHRM2KMT2ACYP2D6MEN1CHRM1
SCHEMBL15986943 0.64 TSHR (0.33) KMT2ATSHR
SCHEMBL17267009 0.64 TSHR (0.33) CHRM2KMT2AMEN1CHRM1TSHR

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