SCHEMBL21164035

SCHEMBL21164035

CC(C)NC(=O)CCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
EPHX1 P07099 1/20 0.40
CAPN1 P07384 1/20 0.39
ADRB2 P07550 2/20 0.39
HTR1A P08908 2/20 0.39
CA7 P43166 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CTSK P43235 2/20 0.38
IDO1 P14902 1/20 0.38
SDCBP O00560 1/20 0.37
SDC2 P34741 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37

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
SCHEMBL26346279 0.86 MEN1 (0.50) MEN1KMT2AGAATDP1CA1
SCHEMBL14642562 0.84 TDP1 (0.47) MEN1KMT2AGAATDP1CA1
SCHEMBL15987190 0.83 TDP1 (0.46) MEN1KMT2AGAATDP1CA1
SCHEMBL13055393 0.82 TDP1 (0.58) MEN1KMT2AGAATDP1CA1
SCHEMBL9355239 0.82 TDP1 (0.57) MEN1KMT2AGAATDP1CA1
SCHEMBL25281589 0.82 MEN1 (0.43) MEN1KMT2AGAATDP1CA1
SCHEMBL25835271 0.81 TDP1 (0.44) MEN1KMT2AGAATDP1CA1
SCHEMBL25886688 0.81 CAPN1 (0.45) MEN1KMT2AGAATDP1CA1
SCHEMBL22276648 0.81 TDP1 (0.56) MEN1KMT2AGAATDP1CA1
SCHEMBL12885084 0.81 TDP1 (0.56) MEN1KMT2AGAATDP1CA1

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-10352941-B2 Method for functionalizing a porous membrane covering of an optical sensor to facilitate coupling of an antithrom-bogenic agent MEDTRONIC MINIMED, INC. (US) 2019-07-16 US disclosed