SCHEMBL9516554

SCHEMBL9516554

CC(Br)(Br)C(=O)OCCOC(=O)C(C)(Br)Br

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 5/20 0.34
CHRM1 P11229 4/20 0.34
CHRM3 P20309 4/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 1/20 0.34
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PRKCA P17252 1/20 0.30
ELANE P08246 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2C19 P33261 1/20 0.30
DGKA P23743 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
SCHEMBL2784663 0.87 TSHR (0.38) POLBGAANPSR1CHRM2CHRM1
SCHEMBL7036698 0.87 ALDH1A1 (0.42) POLBGAANPSR1CHRM2CHRM1
SCHEMBL36866 0.83 POLB (0.41) POLBGAANPSR1CHRM2CHRM1
SCHEMBL2321956 0.81
SCHEMBL14507455 0.77 ALDH1A1 (0.38) POLBGAANPSR1CHRM2CHRM1
SCHEMBL19393389 0.77 POLB (0.50) POLBGAANPSR1CHRM2CHRM1
Ethylene Glycol SCHEMBL830063 0.77 POLB (0.38) POLBGAANPSR1CHRM2CHRM1
SCHEMBL29664486 0.77 ALDH1A1 (0.38) POLBGAANPSR1CHRM2CHRM1
SCHEMBL4258156 0.77 POLB (0.48) POLBGAANPSR1CHRM2CHRM1
SCHEMBL26784986 0.76 KMT2A (0.46) NPSR1CHRM2CHRM1CHRM3CHRM4

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-0236624-B1 SUBSTITUTED PHENYL ETHANOL AMINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1993-08-11 EP disclosed