SCHEMBL9517746

SCHEMBL9517746

Clc1cc(C2(CBr)OCCO2)ccc1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
CEL P19835 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
EBP Q15125 1/20 0.36
OPRL1 P41146 3/20 0.32
TP53 P04637 1/20 0.32
SLC6A4 P31645 6/20 0.32
SLC6A3 Q01959 6/20 0.32
SLC6A2 P23975 1/20 0.32
STING1 Q86WV6 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
THRB P10828 1/20 0.31
PTGDR Q13258 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
SCHEMBL11545222 0.78 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2
SCHEMBL11799765 0.71 NUDT1 (0.44) SIGMAR1CELTMEM97EBPPTGDR2
SCHEMBL11541948 0.70 HTR2C (0.42) SLC6A4SLC6A3SLC6A2
SCHEMBL117206 0.69 MAOA (0.38) SLC6A4SLC6A3SLC6A2
SCHEMBL8330793 0.69 NUDT1 (0.52) SIGMAR1CELTMEM97EBP
SCHEMBL11674174 0.68 SIGMAR1 (0.43) SIGMAR1CELTMEM97EBPOPRL1
SCHEMBL3900326 0.67 NUDT1 (0.43) SIGMAR1CELTMEM97EBPSLC6A4
SCHEMBL10829892 0.67 SIGMAR1 (0.48) SIGMAR1CELTMEM97EBPTP53
SCHEMBL434608 0.67 GAA (0.56) SIGMAR1CELTMEM97EBPPTGDR2
SCHEMBL11407480 0.67 PTGDR2 (0.40) CELTP53SLC6A3PTGDR2PTGDR

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
EP-0034871-B2 PROCESS FOR PREPARING ESTERS OF ALKANOIC ACIDS VIA REARRANGEMENT OF ALPHA-HALOKETALS BLASCHIM S.p.A. (IT) 1993-08-25 EP disclosed
US-4748253-A Process for preparing esters of alkanoic acids via rearrangement of alpha-haloketals BLASINACHIM S.P.A. (IT) 1988-05-31 US disclosed
EP-0034871-B1 PROCESS FOR PREPARING ESTERS OF ALKANOIC ACIDS VIA REARRANGEMENT OF ALPHA-HALOKETALS BLASCHIM S.p.A. (IT) 1985-07-31 EP disclosed
EP-0034871-A2 Process for preparing esters of alkanoic acids via rearrangement of alpha-haloketals BLASCHIM S.p.A. (IT) 1981-09-02 EP disclosed