SCHEMBL9436624

SCHEMBL9436624

O=C(OC[C@@H](OC(=O)C1CCCCC1)[C@@H](OC(=O)C1CCCCC1)[C@H](OC(=O)C1CCCCC1)[C@@H](COC(=O)C1CCCCC1)OC(=O)C1CCCCC1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.35
MDM2 Q00987 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL16217646 1.00 ADRB2 (0.44) ADRB2ADRB1ADRB3ALDH1A1TDP1
SCHEMBL16217648 0.98 ADRB2 (0.43) ADRB2ADRB1ADRB3ALDH1A1TDP1
SCHEMBL812981 0.97 ADRB2 (0.44) ADRB2ADRB1ADRB3ALDH1A1TDP1
SCHEMBL2161830 0.81 ADRB2 (0.40) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL208241 0.80 ADRB2 (0.47) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL16283696 0.79 LMNA (0.46) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL2161806 0.79 ADRB2 (0.41) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL812974 0.77 ADRB2 (0.49) ADRB2ADRB1ADRB3ALDH1A1MEN1
SCHEMBL2161774 0.76 ADRB2 (0.38) ADRB2ADRB1ADRB3ALDH1A1TDP1
SCHEMBL5379464 0.74 ADRB2 (0.31) ADRB2ADRB1ADRB3

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-5366961-A Insecticides COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1994-11-22 US disclosed