SCHEMBL7036698

SCHEMBL7036698

CCCOC(=O)C(C)(Br)Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
LMNA P02545 1/20 0.41
CHRM1 P11229 2/20 0.39
ESR1 P03372 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A2 P23975 1/20 0.39
KDR P35968 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
RAB9A P51151 1/20 0.37
GRM1 Q13255 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 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
SCHEMBL9516554 0.87 POLB (0.37) ALDH1A1CHRM1TSHRCHRM2CHRM4
SCHEMBL2332385 0.86 ALDH1A1 (0.42) ALDH1A1LMNACHRM1ESR1TSHR
SCHEMBL9419509 0.83 ALDH1A1 (0.43) ALDH1A1LMNACHRM1ESR1TSHR
SCHEMBL29229107 0.82 ALDH1A1 (0.39) ALDH1A1LMNACHRM1ESR1TSHR
SCHEMBL5613336 0.82 ALDH1A1 (0.39) ALDH1A1LMNACHRM1ESR1TSHR
SCHEMBL2784663 0.81 TSHR (0.38) ALDH1A1CHRM1TSHRCHRM2CHRM4
SCHEMBL28800333 0.81 HCAR2 (0.39) ALDH1A1LMNACHRM1ESR1TSHR
SCHEMBL2321956 0.80
SCHEMBL6062638 0.80 HCAR2 (0.41) ALDH1A1LMNACHRM1ESR1TSHR
SCHEMBL204763 0.80 POLB (0.44) ALDH1A1LMNACHRM1ESR1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030027938-A1 Synthesis of energetic polyester thermoplastic homopolymers and energetic thermoplastic elastomers formed therefrom DEPARTMENT OF NATIONAL DEFENCE (CA) 2003-02-06 US disclosed
EP-1229009-A1 Synthesis of energetic polyester thermoplastic homopolymers and energetic thermoplastic elastomers formed therefrom Department of National Defence (CA) 2002-08-07 EP disclosed
US-20020103307-A1 SYNTHESIS OF ENERGETIC POLYESTER THERMOPLASTIC HOMOPOLYMERS AND ENERGETIC THERMOPLASTIC ELASTOMERS FORMED THEREFROM NATIONAL DEFENCE, DEPARTMENT OF (CA) 2002-08-01 US disclosed
US-6417290-B1 POLY(A-AZIDOMETHYL-A-METHYL-B-PROPIOLACTONE); PROPELLANTS, EXPLOSIVES DEPARTMENT OF NATIONAL DEFENCE (CA) 2002-07-09 US disclosed