SCHEMBL7536085

SCHEMBL7536085

[O]CCOCC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
LMNA P02545 1/20 0.38
SPHK1 Q9NYA1 11/20 0.38
SPHK2 Q9NRA0 4/20 0.38
GBA1 P04062 2/20 0.37
UGCG Q16739 2/20 0.37
GBA2 Q9HCG7 2/20 0.37
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL4592509 0.93
SCHEMBL4592752 0.87
SCHEMBL14338963 0.79 CTSL (0.39) NAAALMNASPHK1SPHK2GBA1
SCHEMBL4593055 0.79 NFE2L2 (0.39)
SCHEMBL23039739 0.79 CTSL (0.41) LMNASPHK1SPHK2GBA1UGCG
SCHEMBL379081 0.79 CTSL (0.41) LMNASPHK1SPHK2GBA1UGCG
SCHEMBL29101108 0.79 CTSL (0.41) LMNASPHK1SPHK2GBA1UGCG
SCHEMBL16239892 0.79 CTSL (0.41) LMNASPHK1SPHK2GBA1UGCG
SCHEMBL869115 0.79 CTSL (0.41) LMNASPHK1SPHK2GBA1UGCG
SCHEMBL20265993 0.78 SPHK1 (0.42) NAAALMNASPHK1SPHK2GBA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711760-B1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2002-05-15 EP disclosed
EP-0882720-B1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2001-08-22 EP disclosed
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
US-6127538-A HYDROXYALKYLATION OF A TRIAMINO TRIAZINE DERIVATIVE HAVING AT LEAST ONE REACTIVE NITROGEN BY REACTING WHILE HEATING WITH AN ALKANEDIOL OR ITS ADDUCT IN THE PRESENCE OF HYDROGEN AND A METAL CATALYST; BY-PRODUCT INHIBITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-03 US disclosed
EP-0882720-A1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-12-09 EP disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed