SCHEMBL8790835

SCHEMBL8790835

CN(C)CCOCC(O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.51
LTA4H P09960 2/20 0.49
MCHR1 Q99705 1/20 0.47
ALOX5 P09917 2/20 0.46
FFAR1 O14842 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAOB P27338 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
Hydrochloric Acid SCHEMBL8477293 0.99 EGFR (0.52) EGFRLTA4HMCHR1ALOX5FFAR1
SCHEMBL8482437 0.89 KDM4E (0.48) EGFRLTA4HMCHR1ALOX5
Hydrochloric Acid SCHEMBL8477271 0.88 KDM4E (0.47) EGFRLTA4HMCHR1ALOX5MAOB
SCHEMBL9099717 0.86 LTA4H (0.57) EGFRLTA4HMCHR1ALOX5
SCHEMBL8483093 0.84 LMNA (0.50) LTA4HALOX5FFAR1LMNACYP1A2
Hydrochloric Acid SCHEMBL8483603 0.83 LTA4H (0.55) LTA4HLMNACYP1A2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL8480079 0.81 RAB9A (0.48) LTA4HFFAR1LMNACYP1A2PTGS1
SCHEMBL29985909 0.79 LTA4H (0.62) EGFRLTA4HMCHR1
SCHEMBL2477100 0.79 LTA4H (0.75) EGFRLTA4HMCHR1LMNACYP1A2
SCHEMBL8581500 0.79 MAOB (0.48) MCHR1ALOX5MAOB

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
US-5612381-A 1,2-ethanediol derivative and salt thereof process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1997-03-18 US claimed
EP-0587193-B1 1,2-Ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO LTD (JP) 1997-01-02 EP claimed
EP-0587193-A1 1,2-Ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-16 EP claimed
EP-0383281-A1 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-22 EP claimed