SCHEMBL7939557

SCHEMBL7939557

COC(=O)CCCC(=O)OC.[H+]

nearest known ligand 0.94

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.94
LMNA P02545 4/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
GLA P06280 1/20 0.50
CA12 O43570 2/20 0.48
CA14 Q9ULX7 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 2/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
OXER1 Q8TDS5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL50039 0.97 TSHR (1.00) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL28238018 0.97 TSHR (1.00) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL28751155 0.94 TSHR (0.94) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL8069375 0.94 TSHR (0.94) TSHRLMNAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL28638793 0.94 TSHR (0.94) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL8582764 0.94 TSHR (0.94) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL6629340 0.94 TSHR (0.94) TSHRLMNAALDH1A1KMT2AMEN1
Dimethyl Succinate SCHEMBL7262656 0.94 TSHR (0.94) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL7732984 0.94 TSHR (0.82) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL8584321 0.94 TSHR (0.94) TSHRLMNAALDH1A1KMT2AMEN1

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-6265624-B1 FEED STREAM CONTAINING PENTANE-1,5-DIOL AND .DELTA.-VALEROLACTONE IS CONTINUOUSLY SUPPLIED TO A VAPORIZATION ZONE TO THERMALLY DECOMPOSE DELTA-VALEROLACTONE; REFLUXING DIMETHYL GLUTARARE; RECOVERING PURE PENTANE-1,5-DIOL KVAERNER PROCESS TECHNOLOGY, LTD. (GB) 2001-07-24 US disclosed