SCHEMBL20924903

SCHEMBL20924903

CN(C)CCCC(=O)OC(CCCCCCCCC(=O)OCCCC1C=CCC1)CCCCCCCCC(=O)OCCCC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SIGMAR1 Q99720 1/20 0.34
DNM1 Q05193 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
NAAA Q02083 2/20 0.31
LMNA P02545 1/20 0.30
KLK7 P49862 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
SCHEMBL15026847 0.89 SIGMAR1 (0.43) ALDH1A1SIGMAR1DNM1SMN1; SMN2CHRM2
SCHEMBL15027494 0.85 SIGMAR1 (0.40) ALDH1A1SIGMAR1DNM1SMN1; SMN2CHRM2
SCHEMBL15027174 0.81 DNM1 (0.46) ALDH1A1DNM1SMN1; SMN2LMNA
SCHEMBL12794350 0.81 ALDH1A1 (0.68) ALDH1A1USP2ALOX15TDP1SIGMAR1
SCHEMBL13743010 0.81 ALDH1A1 (0.68) ALDH1A1USP2ALOX15TDP1SIGMAR1
SCHEMBL12794352 0.81 ALDH1A1 (0.68) ALDH1A1USP2ALOX15TDP1SIGMAR1
SCHEMBL31226902 0.80 ALDH1A1 (0.46) ALDH1A1SIGMAR1SMN1; SMN2LMNA
SCHEMBL20924797 0.78 SIGMAR1 (0.39) ALDH1A1SIGMAR1DNM1SMN1; SMN2CHRM2
SCHEMBL15149624 0.78 DNM1 (0.44) ALDH1A1DNM1SMN1; SMN2LMNA
SCHEMBL6521153 0.76 ALDH1A1 (0.61) ALDH1A1USP2ALOX15TDP1DNM1

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