SCHEMBL20924797

SCHEMBL20924797

C=C(CCCN(C)C)OC(CCCCCCCCCOC(=O)CCC1CCCC1)CCCCCCCCCOC(=O)CCC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
DNM1 Q05193 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
NAAA Q02083 9/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ASAH1 Q13510 1/20 0.33
EPHX1 P07099 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
SCHEMBL15027494 0.92 SIGMAR1 (0.40) SIGMAR1DNM1SMN1; SMN2CHRM2CHRM4
SCHEMBL15026847 0.85 SIGMAR1 (0.43) SIGMAR1DNM1SMN1; SMN2CHRM2CHRM4
SCHEMBL20924798 0.84 CHRM2 (0.36) SIGMAR1CHRM2CHRM4CHRM1CHRM3
SCHEMBL20924799 0.81 DNM1 (0.58) DNM1NAAAMAPTALDH1A1
SCHEMBL31226902 0.81 ALDH1A1 (0.46) SIGMAR1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL20924716 0.80 CHRM2 (0.36) SIGMAR1CHRM2CHRM4CHRM1CHRM3
SCHEMBL31226801 0.79 ALDH1A1 (0.42) SIGMAR1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL20924903 0.78 ALDH1A1 (0.48) SIGMAR1DNM1SMN1; SMN2CHRM2CHRM4
SCHEMBL20924796 0.78 CHRM2 (0.35) SIGMAR1DNM1CHRM2CHRM4CHRM1
SCHEMBL31226765 0.78 SIGMAR1 (0.39) SIGMAR1MEN1MAPTKMT2AATM

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
EP-2788316-B1 BRANCHED ALKYL AND CYCLOALKYL TERMINATED BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS INC (US) 2019-04-24 EP disclosed