SCHEMBL9628393

SCHEMBL9628393

CCCCOC(=O)C/C=C(/CCl)OCCCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
NAAA Q02083 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
DGKA P23743 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.37
ACHE P22303 6/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL9628385 1.00 ATM (0.44) ATMNAAAALDH1A1HPGDTSHR
SCHEMBL140770 0.77
Bicarbonate SCHEMBL9842889 0.77 ATM (0.48) ATMNAAAALDH1A1HPGDTSHR
SCHEMBL28488567 0.75 ATM (0.56) ATMNAAAALDH1A1HPGDTSHR
SCHEMBL10876249 0.75 ATM (0.56) ATMNAAAALDH1A1HPGDTSHR
SCHEMBL28063347 0.75 ATM (0.47) ATMNAAAALDH1A1HPGDTSHR
SCHEMBL23255853 0.74 ALDH1A1 (0.48) ATMNAAAALDH1A1HPGDTSHR
SCHEMBL26657829 0.74 ALDH1A1 (0.48) ATMNAAAALDH1A1HPGDTSHR
SCHEMBL9494195 0.74 ATM (0.54) ATMNAAAALDH1A1HPGDTSHR
SCHEMBL3964880 0.74 ATM (0.54) ATMNAAAALDH1A1HPGDTSHR

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-5144047-A PROCESS FOR THE PRODUCTION OF TETRONIC ACID ALKYL ESTERS LONZA LTD. (CH) 1992-09-01 US disclosed