SCHEMBL11428443

SCHEMBL11428443

O=C(O)CCN1CCOCCOCCN(CCC(=O)O)CCOCCOCC1

nearest known ligand 0.92

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.92
HSD17B10 Q99714 2/20 0.63
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.51
CYP2C19 P33261 1/20 0.51
HSP90AA1 P07900 1/20 0.47
MPI P34949 1/20 0.47
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL545027 0.98 GLA (0.96) GLAHSD17B10ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL1094998 0.96 GLA (1.00) GLAHSD17B10ALDH1A1MAPTKMT2A
Bromide SCHEMBL28460623 0.96 GLA (0.92) GLAHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL8207081 0.96 GLA (0.92) GLAHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL2915628 0.96 GLA (0.92) GLAHSD17B10ALDH1A1MAPTKMT2A
Water SCHEMBL29101661 0.94 GLA (0.88) GLAHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL10987121 0.90 GLA (0.81) GLAHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL465026 0.85 GLA (0.74) GLAHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL4789962 0.85 GLA (0.74) GLAHSD17B10ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL1127696 0.83 GLA (0.78) GLAHSD17B10ALDH1A1MAPTKMT2A

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-4190462-A CLEANING WELL BORE HOLES BY COMPLEXING SHELL OIL COMPANY (US) 1980-02-26 US disclosed